1,2-difluoro-3,5-dimethylcyclohexane

C8H14F2 — CID 89171069

IUPAC1,2-difluoro-3,5-dimethylcyclohexane
SMILESCC1CC(C)C(F)C(F)C1
InChIInChI=1S/C8H14F2/c1-5-3-6(2)8(10)7(9)4-5/h5-8H,3-4H2,1-2H3
InChIKeyDLJLJQVYRGJFGN-UHFFFAOYSA-N
MW148.20 g/mol
LogP2.73
Rot. Bonds

About 1,2-difluoro-3,5-dimethylcyclohexane

1,2-difluoro-3,5-dimethylcyclohexane (PubChem CID 89171069) has the molecular formula C8H14F2 and a molecular weight of 148.20 g/mol. Its IUPAC name is 1,2-difluoro-3,5-dimethylcyclohexane.

Molecular Properties

Compound Name1,2-difluoro-3,5-dimethylcyclohexane
PubChem CID89171069
Molecular FormulaC8H14F2
Molecular Weight148.20 g/mol
Exact Mass148.11
IUPAC Name1,2-difluoro-3,5-dimethylcyclohexane
SMILESCC1CC(C)C(F)C(F)C1
InChIInChI=1S/C8H14F2/c1-5-3-6(2)8(10)7(9)4-5/h5-8H,3-4H2,1-2H3
InChIKeyDLJLJQVYRGJFGN-UHFFFAOYSA-N
XLogP2.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.20
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

cis-(1S,4R)-1-fluoro-2,4-dimethylcyclopentane
CID 169143039
methane;1,2,4-trimethylcyclopentane
CID 157268000
(1S,2S,4R)-2-fluoro-4-methylcyclopentan-1-ol
CID 176837705
2,3-difluoro-1,4-dimethylcyclohexane;bis(1,4-dimethylcyclohexane);bis(2-fluoro-1,4-dimethylcyclohexane);methane;molecular hydrogen;tetrahydrate
CID 158108017
1,3,5-trimethyl-2-(2,4,6-trimethylcyclohexyl)cyclohexane
CID 59549992
1,6-difluoro-3,7-dimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 140635472
1-ethyl-2-fluoro-4-methylcyclopentane
CID 91088664
bis(1,3-difluoro-2,5-dimethylcyclohexane);1,4-dimethylcyclohexane;bis(2-fluoro-1,4-dimethylcyclohexane);pentahydrate
CID 159094413
(4R)-1,2-difluoro-4-methylcyclohexane
CID 89362565
1,2,3,5,7-pentamethylcyclooctane
CID 91401486
cis-(4R,5S)-1-fluoro-2,4,5-trimethylcyclohexane
CID 122693333
1-fluoro-3,5-dimethyl-2-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethynyl]cyclohexane
CID 143560042

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3,5-dimethylcyclohexane?
The IUPAC name of 1,2-difluoro-3,5-dimethylcyclohexane (CID 89171069) is 1,2-difluoro-3,5-dimethylcyclohexane.
What is the SMILES notation for 1,2-difluoro-3,5-dimethylcyclohexane?
The canonical SMILES for 1,2-difluoro-3,5-dimethylcyclohexane is CC1CC(C)C(F)C(F)C1.
What is the InChIKey of 1,2-difluoro-3,5-dimethylcyclohexane?
The InChIKey is DLJLJQVYRGJFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2/c1-5-3-6(2)8(10)7(9)4-5/h5-8H,3-4H2,1-2H3.
What are the key properties of 1,2-difluoro-3,5-dimethylcyclohexane?
1,2-difluoro-3,5-dimethylcyclohexane has a molecular weight of 148.20 g/mol, XLogP of 2.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3,5-dimethylcyclohexane is sourced from PubChem (CID 89171069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).