1,1-difluoro-4,4-dimethylcyclohexane;methane

C9H18F2 — CID 159801836

IUPAC1,1-difluoro-4,4-dimethylcyclohexane;methane
SMILESC.CC1(C)CCC(F)(F)CC1
InChIInChI=1S/C8H14F2.CH4/c1-7(2)3-5-8(9,10)6-4-7;/h3-6H2,1-2H3;1H4
InChIKeyNJWWASPYEIGNQV-UHFFFAOYSA-N
MW164.24 g/mol
LogP3.86
Rot. Bonds

About 1,1-difluoro-4,4-dimethylcyclohexane;methane

1,1-difluoro-4,4-dimethylcyclohexane;methane (PubChem CID 159801836) has the molecular formula C9H18F2 and a molecular weight of 164.24 g/mol. Its IUPAC name is 1,1-difluoro-4,4-dimethylcyclohexane;methane.

Molecular Properties

Compound Name1,1-difluoro-4,4-dimethylcyclohexane;methane
PubChem CID159801836
Molecular FormulaC9H18F2
Molecular Weight164.24 g/mol
Exact Mass164.14
IUPAC Name1,1-difluoro-4,4-dimethylcyclohexane;methane
SMILESC.CC1(C)CCC(F)(F)CC1
InChIInChI=1S/C8H14F2.CH4/c1-7(2)3-5-8(9,10)6-4-7;/h3-6H2,1-2H3;1H4
InChIKeyNJWWASPYEIGNQV-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.24
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-difluoro-4-iodo-4-methylcyclohexane
CID 118653860
cobalt;1,1-difluorocyclopropane
CID 143921033
1,1-difluoro-4-methoxy-4-methylcyclohexane
CID 122579761
6,6-difluorospiro[2.5]octane
CID 58561650
1-(4,4-difluorocyclohexyl)-4,4-dimethylpiperidine
CID 126539817
1-fluoro-1-methylcyclopropane
CID 18684623
1,1,3-trifluoro-3-methylcyclopentane
CID 118604356
1,1-dimethylcyclohexane;methane
CID 160770296
4,4-difluoro-1-methyl-N-propan-2-ylcyclohexan-1-amine
CID 58799781
4,4-dimethylcyclohexane-1,1-diol
CID 139914363
1,1-dimethylcyclobutane;vanadium
CID 158712416
1,1-difluoro-4-methylcyclohexane;methanamine
CID 144779644

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4,4-dimethylcyclohexane;methane?
The IUPAC name of 1,1-difluoro-4,4-dimethylcyclohexane;methane (CID 159801836) is 1,1-difluoro-4,4-dimethylcyclohexane;methane.
What is the SMILES notation for 1,1-difluoro-4,4-dimethylcyclohexane;methane?
The canonical SMILES for 1,1-difluoro-4,4-dimethylcyclohexane;methane is C.CC1(C)CCC(F)(F)CC1.
What is the InChIKey of 1,1-difluoro-4,4-dimethylcyclohexane;methane?
The InChIKey is NJWWASPYEIGNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2.CH4/c1-7(2)3-5-8(9,10)6-4-7;/h3-6H2,1-2H3;1H4.
What are the key properties of 1,1-difluoro-4,4-dimethylcyclohexane;methane?
1,1-difluoro-4,4-dimethylcyclohexane;methane has a molecular weight of 164.24 g/mol, XLogP of 3.86, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4,4-dimethylcyclohexane;methane is sourced from PubChem (CID 159801836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).