1,1-difluoro-4-methylcyclohexane;1-ethyl-1,2-dimethylcyclohexane;1-ethyl-1,3-dimethylcyclohexane;1-ethyl-1,4-dimethylcyclohexane;1-ethyl-1,4,4-trimethylcyclohexane;methane

C50H102F2 — CID 159398385

IUPAC1,1-difluoro-4-methylcyclohexane;1-ethyl-1,2-dimethylcyclohexane;1-ethyl-1,3-dimethylcyclohexane;1-ethyl-1,4-dimethylcyclohexane;1-ethyl-1,4,4-trimethylcyclohexane;methane
SMILESC.C.CC1CCC(F)(F)CC1.CCC1(C)CCC(C)(C)CC1.CCC1(C)CCC(C)CC1.CCC1(C)CCCC(C)C1.CCC1(C)CCCCC1C
InChIInChI=1S/C11H22.3C10H20.C7H12F2.2CH4/c1-5-11(4)8-6-10(2,3)7-9-11;1-4-10(3)7-5-9(2)6-8-10;1-4-10(3)7-5-6-9(2)8-10;1-4-10(3)8-6-5-7-9(10)2;1-6-2-4-7(8,9)5-3-6;;/h5-9H2,1-4H3;3*9H,4-8H2,1-3H3;6H,2-5H2,1H3;2*1H4
InChIKeyLNAHLADUTSUGER-UHFFFAOYSA-N
MW741.36 g/mol
LogP18.95
Rot. Bonds4

About 1,1-difluoro-4-methylcyclohexane;1-ethyl-1,2-dimethylcyclohexane;1-ethyl-1,3-dimethylcyclohexane;1-ethyl-1,4-dimethylcyclohexane;1-ethyl-1,4,4-trimethylcyclohexane;methane

1,1-difluoro-4-methylcyclohexane;1-ethyl-1,2-dimethylcyclohexane;1-ethyl-1,3-dimethylcyclohexane;1-ethyl-1,4-dimethylcyclohexane;1-ethyl-1,4,4-trimethylcyclohexane;methane (PubChem CID 159398385) has the molecular formula C50H102F2 and a molecular weight of 741.36 g/mol. Its IUPAC name is 1,1-difluoro-4-methylcyclohexane;1-ethyl-1,2-dimethylcyclohexane;1-ethyl-1,3-dimethylcyclohexane;1-ethyl-1,4-dimethylcyclohexane;1-ethyl-1,4,4-trimethylcyclohexane;methane.

Molecular Properties

Compound Name1,1-difluoro-4-methylcyclohexane;1-ethyl-1,2-dimethylcyclohexane;1-ethyl-1,3-dimethylcyclohexane;1-ethyl-1,4-dimethylcyclohexane;1-ethyl-1,4,4-trimethylcyclohexane;methane
PubChem CID159398385
Molecular FormulaC50H102F2
Molecular Weight741.36 g/mol
Exact Mass740.79
IUPAC Name1,1-difluoro-4-methylcyclohexane;1-ethyl-1,2-dimethylcyclohexane;1-ethyl-1,3-dimethylcyclohexane;1-ethyl-1,4-dimethylcyclohexane;1-ethyl-1,4,4-trimethylcyclohexane;methane
SMILESC.C.CC1CCC(F)(F)CC1.CCC1(C)CCC(C)(C)CC1.CCC1(C)CCC(C)CC1.CCC1(C)CCCC(C)C1.CCC1(C)CCCCC1C
InChIInChI=1S/C11H22.3C10H20.C7H12F2.2CH4/c1-5-11(4)8-6-10(2,3)7-9-11;1-4-10(3)7-5-9(2)6-8-10;1-4-10(3)7-5-6-9(2)8-10;1-4-10(3)8-6-5-7-9(10)2;1-6-2-4-7(8,9)5-3-6;;/h5-9H2,1-4H3;3*9H,4-8H2,1-3H3;6H,2-5H2,1H3;2*1H4
InChIKeyLNAHLADUTSUGER-UHFFFAOYSA-N
XLogP18.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500741.36
LogP ≤ 518.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,1-difluoro-4-methylcyclohexane;1-ethyl-1,2-dimethylcyclohexane;1-ethyl-1,3-dimethylcyclohexane;1-ethyl-1,4-dimethylcyclohexane;1-ethyl-1,4,4-trimethylcyclohexane;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-1,4-dimethylcycloheptane
CID 91266372
(3S)-1-ethyl-1,3-dimethylcyclohexane
CID 145106781
1,3,7-trimethyl-1-propylcyclononane
CID 123829205
1,1-dimethylcyclohexane;ethane;methane;methylcyclohexane;bis((1-methylcyclohexyl)methanol)
CID 160742592
1,1,5-trimethylcycloundecane
CID 161434950
[(1R,3R)-1,3-dimethylcyclohexyl]methanamine
CID 124509461
1,1-dimethylcyclopropane;1-ethyl-1-methylcyclopropane
CID 143562468
1-[1-(1,2-dimethylcyclohexyl)propyl]-1,3-dimethylcyclohexane
CID 175121766
1-ethyl-1,2,5-trimethylcyclohexane
CID 123642131
ethane;1,1,3-trimethylcyclohexane;(3S)-1,1,3-trimethylcyclohexane
CID 169190752
1,1,5,8-tetramethylcyclotetradecane
CID 143796202
1,1,4-trimethylcyclononane
CID 71397842

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-methylcyclohexane;1-ethyl-1,2-dimethylcyclohexane;1-ethyl-1,3-dimethylcyclohexane;1-ethyl-1,4-dimethylcyclohexane;1-ethyl-1,4,4-trimethylcyclohexane;methane?
The IUPAC name of 1,1-difluoro-4-methylcyclohexane;1-ethyl-1,2-dimethylcyclohexane;1-ethyl-1,3-dimethylcyclohexane;1-ethyl-1,4-dimethylcyclohexane;1-ethyl-1,4,4-trimethylcyclohexane;methane (CID 159398385) is 1,1-difluoro-4-methylcyclohexane;1-ethyl-1,2-dimethylcyclohexane;1-ethyl-1,3-dimethylcyclohexane;1-ethyl-1,4-dimethylcyclohexane;1-ethyl-1,4,4-trimethylcyclohexane;methane.
What is the SMILES notation for 1,1-difluoro-4-methylcyclohexane;1-ethyl-1,2-dimethylcyclohexane;1-ethyl-1,3-dimethylcyclohexane;1-ethyl-1,4-dimethylcyclohexane;1-ethyl-1,4,4-trimethylcyclohexane;methane?
The canonical SMILES for 1,1-difluoro-4-methylcyclohexane;1-ethyl-1,2-dimethylcyclohexane;1-ethyl-1,3-dimethylcyclohexane;1-ethyl-1,4-dimethylcyclohexane;1-ethyl-1,4,4-trimethylcyclohexane;methane is C.C.CC1CCC(F)(F)CC1.CCC1(C)CCC(C)(C)CC1.CCC1(C)CCC(C)CC1.CCC1(C)CCCC(C)C1.CCC1(C)CCCCC1C.
What is the InChIKey of 1,1-difluoro-4-methylcyclohexane;1-ethyl-1,2-dimethylcyclohexane;1-ethyl-1,3-dimethylcyclohexane;1-ethyl-1,4-dimethylcyclohexane;1-ethyl-1,4,4-trimethylcyclohexane;methane?
The InChIKey is LNAHLADUTSUGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22.3C10H20.C7H12F2.2CH4/c1-5-11(4)8-6-10(2,3)7-9-11;1-4-10(3)7-5-9(2)6-8-10;1-4-10(3)7-5-6-9(2)8-10;1-4-10(3)8-6-5-7-9(10)2;1-6-2-4-7(8,9)5-3-6;;/h5-9H2,1-4H3;3*9H,4-8H2,1-3H3;6H,2-5H2,1H3;2*1H4.
What are the key properties of 1,1-difluoro-4-methylcyclohexane;1-ethyl-1,2-dimethylcyclohexane;1-ethyl-1,3-dimethylcyclohexane;1-ethyl-1,4-dimethylcyclohexane;1-ethyl-1,4,4-trimethylcyclohexane;methane?
1,1-difluoro-4-methylcyclohexane;1-ethyl-1,2-dimethylcyclohexane;1-ethyl-1,3-dimethylcyclohexane;1-ethyl-1,4-dimethylcyclohexane;1-ethyl-1,4,4-trimethylcyclohexane;methane has a molecular weight of 741.36 g/mol, XLogP of 18.95, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-methylcyclohexane;1-ethyl-1,2-dimethylcyclohexane;1-ethyl-1,3-dimethylcyclohexane;1-ethyl-1,4-dimethylcyclohexane;1-ethyl-1,4,4-trimethylcyclohexane;methane is sourced from PubChem (CID 159398385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).