1,1-difluoro-4-methylcyclohexane;methanamine

C8H17F2N — CID 144779644

IUPAC1,1-difluoro-4-methylcyclohexane;methanamine
SMILESCC1CCC(F)(F)CC1.CN
InChIInChI=1S/C7H12F2.CH5N/c1-6-2-4-7(8,9)5-3-6;1-2/h6H,2-5H2,1H3;2H2,1H3
InChIKeyQWISHOSTKNQUIO-UHFFFAOYSA-N
MW165.23 g/mol
LogP2.41
Rot. Bonds

About 1,1-difluoro-4-methylcyclohexane;methanamine

1,1-difluoro-4-methylcyclohexane;methanamine (PubChem CID 144779644) has the molecular formula C8H17F2N and a molecular weight of 165.23 g/mol. Its IUPAC name is 1,1-difluoro-4-methylcyclohexane;methanamine.

Molecular Properties

Compound Name1,1-difluoro-4-methylcyclohexane;methanamine
PubChem CID144779644
Molecular FormulaC8H17F2N
Molecular Weight165.23 g/mol
Exact Mass165.13
IUPAC Name1,1-difluoro-4-methylcyclohexane;methanamine
SMILESCC1CCC(F)(F)CC1.CN
InChIInChI=1S/C7H12F2.CH5N/c1-6-2-4-7(8,9)5-3-6;1-2/h6H,2-5H2,1H3;2H2,1H3
InChIKeyQWISHOSTKNQUIO-UHFFFAOYSA-N
XLogP2.41
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.23
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

azane;1,1-difluoro-4-methylcyclohexane;hydrochloride
CID 126721446
(3S)-1,1-difluoro-3-methylcyclopentane
CID 59434161
3,9-dimethylspiro[5.5]undecane;methanamine
CID 176558454
ethane;6-methylspiro[2.5]octane
CID 142110397
3,9-dimethylspiro[5.5]undecane
CID 20825106
(4,4-difluorocyclohexyl)-(3,5-dimethylcyclohexyl)methanamine
CID 105154323
4,4-difluoro-1-(4-methylcyclohexyl)piperidine
CID 58395271
1-(1-methoxy-4-methylcyclohexyl)-2-methylpropan-1-amine
CID 116766221
O-(4,4-difluorocyclohexyl)hydroxylamine
CID 149173251
(4,4-difluorocyclohexyl)azanium;methanethiol
CID 166078171
3,11-dimethyldispiro[5.1.58.16]tetradecane
CID 18633626
4-tert-butyl-1,1-difluorocyclohexane;3-tert-butyl-1,1-difluorocyclopentane
CID 158523414

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-methylcyclohexane;methanamine?
The IUPAC name of 1,1-difluoro-4-methylcyclohexane;methanamine (CID 144779644) is 1,1-difluoro-4-methylcyclohexane;methanamine.
What is the SMILES notation for 1,1-difluoro-4-methylcyclohexane;methanamine?
The canonical SMILES for 1,1-difluoro-4-methylcyclohexane;methanamine is CC1CCC(F)(F)CC1.CN.
What is the InChIKey of 1,1-difluoro-4-methylcyclohexane;methanamine?
The InChIKey is QWISHOSTKNQUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2.CH5N/c1-6-2-4-7(8,9)5-3-6;1-2/h6H,2-5H2,1H3;2H2,1H3.
What are the key properties of 1,1-difluoro-4-methylcyclohexane;methanamine?
1,1-difluoro-4-methylcyclohexane;methanamine has a molecular weight of 165.23 g/mol, XLogP of 2.41, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-methylcyclohexane;methanamine is sourced from PubChem (CID 144779644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).