azane;1,1-difluoro-4-methylcyclohexane;hydrochloride

C7H16ClF2N — CID 126721446

IUPACazane;1,1-difluoro-4-methylcyclohexane;hydrochloride
SMILESCC1CCC(F)(F)CC1.Cl.N
InChIInChI=1S/C7H12F2.ClH.H3N/c1-6-2-4-7(8,9)5-3-6;;/h6H,2-5H2,1H3;1H;1H3
InChIKeyRMVQAPJYGLXOPF-UHFFFAOYSA-N
MW187.66 g/mol
LogP3.42
Rot. Bonds

About azane;1,1-difluoro-4-methylcyclohexane;hydrochloride

azane;1,1-difluoro-4-methylcyclohexane;hydrochloride (PubChem CID 126721446) has the molecular formula C7H16ClF2N and a molecular weight of 187.66 g/mol. Its IUPAC name is azane;1,1-difluoro-4-methylcyclohexane;hydrochloride.

Molecular Properties

Compound Nameazane;1,1-difluoro-4-methylcyclohexane;hydrochloride
PubChem CID126721446
Molecular FormulaC7H16ClF2N
Molecular Weight187.66 g/mol
Exact Mass187.09
IUPAC Nameazane;1,1-difluoro-4-methylcyclohexane;hydrochloride
SMILESCC1CCC(F)(F)CC1.Cl.N
InChIInChI=1S/C7H12F2.ClH.H3N/c1-6-2-4-7(8,9)5-3-6;;/h6H,2-5H2,1H3;1H;1H3
InChIKeyRMVQAPJYGLXOPF-UHFFFAOYSA-N
XLogP3.42
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.66
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-difluoro-4-methylcyclohexane;methanamine
CID 144779644
(3S)-1,1-difluoro-3-methylcyclopentane
CID 59434161
ethane;6-methylspiro[2.5]octane
CID 142110397
3,9-dimethylspiro[5.5]undecane
CID 20825106
4,4-difluoro-1-(4-methylcyclohexyl)piperidine
CID 58395271
(4,4-difluorocyclohexyl)azanium;methanethiol
CID 166078171
3,9-dimethylspiro[5.5]undecane;methanamine
CID 176558454
3,11-dimethyldispiro[5.1.58.16]tetradecane
CID 18633626
4-tert-butyl-1,1-difluorocyclohexane;3-tert-butyl-1,1-difluorocyclopentane
CID 158523414
(4,4-difluorocyclohexyl)-(3,5-dimethylcyclohexyl)methanamine
CID 105154323
(2R,5S)-2-(4,4-difluorocyclohexyl)-5-methylpiperidine
CID 169114303
1,4-dimethylcyclohexane;ethane;sulfane
CID 142040311

Frequently Asked Questions

What is the IUPAC name of azane;1,1-difluoro-4-methylcyclohexane;hydrochloride?
The IUPAC name of azane;1,1-difluoro-4-methylcyclohexane;hydrochloride (CID 126721446) is azane;1,1-difluoro-4-methylcyclohexane;hydrochloride.
What is the SMILES notation for azane;1,1-difluoro-4-methylcyclohexane;hydrochloride?
The canonical SMILES for azane;1,1-difluoro-4-methylcyclohexane;hydrochloride is CC1CCC(F)(F)CC1.Cl.N.
What is the InChIKey of azane;1,1-difluoro-4-methylcyclohexane;hydrochloride?
The InChIKey is RMVQAPJYGLXOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2.ClH.H3N/c1-6-2-4-7(8,9)5-3-6;;/h6H,2-5H2,1H3;1H;1H3.
What are the key properties of azane;1,1-difluoro-4-methylcyclohexane;hydrochloride?
azane;1,1-difluoro-4-methylcyclohexane;hydrochloride has a molecular weight of 187.66 g/mol, XLogP of 3.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1,1-difluoro-4-methylcyclohexane;hydrochloride is sourced from PubChem (CID 126721446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).