(1R,6R)-7,7-difluoro-1-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride

C7H12ClF2N — CID 146082174

IUPAC(1R,6R)-7,7-difluoro-1-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride
SMILESC[C@]12CNCC[C@H]1C2(F)F.Cl
InChIInChI=1S/C7H11F2N.ClH/c1-6-4-10-3-2-5(6)7(6,8)9;/h5,10H,2-4H2,1H3;1H/t5-,6+;/m1./s1
InChIKeyUAQGXFASHBMEOD-IBTYICNHSA-N
MW183.63 g/mol
LogP1.67
Rot. Bonds

About (1R,6R)-7,7-difluoro-1-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride

(1R,6R)-7,7-difluoro-1-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride (PubChem CID 146082174) has the molecular formula C7H12ClF2N and a molecular weight of 183.63 g/mol. Its IUPAC name is (1R,6R)-7,7-difluoro-1-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride.

Molecular Properties

Compound Name(1R,6R)-7,7-difluoro-1-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride
PubChem CID146082174
Molecular FormulaC7H12ClF2N
Molecular Weight183.63 g/mol
Exact Mass183.06
IUPAC Name(1R,6R)-7,7-difluoro-1-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride
SMILESC[C@]12CNCC[C@H]1C2(F)F.Cl
InChIInChI=1S/C7H11F2N.ClH/c1-6-4-10-3-2-5(6)7(6,8)9;/h5,10H,2-4H2,1H3;1H/t5-,6+;/m1./s1
InChIKeyUAQGXFASHBMEOD-IBTYICNHSA-N
XLogP1.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.63
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7,7-difluoro-1-methylbicyclo[4.1.0]heptane
CID 14493670
(7,7-difluoro-3-azabicyclo[4.1.0]heptan-1-yl)methanol
CID 131038105
methyl 7,7-difluoro-3-azabicyclo[4.1.0]heptane-1-carboxylate;hydrochloride
CID 121207588
(1S,6S)-7,7-difluoro-3-azabicyclo[4.1.0]heptane-1-carboxylic acid
CID 129321000
(1S,6R)-7,7-difluoro-3-azabicyclo[4.1.0]heptane-1-carboxylic acid
CID 129320998
6,6-difluoro-1,4-diazepane;hydrochloride
CID 169219655
3,3-difluoro-4-propan-2-ylpiperidine
CID 58394614
3,3-dimethyl-4-(trifluoromethyl)piperidine
CID 86775311
(4S)-3,3-difluoro-N,N-dimethylpiperidin-4-amine
CID 125499591
7,7-difluoro-1,6-dimethyl-3-azabicyclo[4.1.0]heptane;hydrochloride
CID 146049859
3-methylpiperidine-3,4-diol
CID 70672277
(4S)-3,3-difluoro-4-propan-2-yloxypiperidine
CID 121261754

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-7,7-difluoro-1-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride?
The IUPAC name of (1R,6R)-7,7-difluoro-1-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride (CID 146082174) is (1R,6R)-7,7-difluoro-1-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride.
What is the SMILES notation for (1R,6R)-7,7-difluoro-1-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride?
The canonical SMILES for (1R,6R)-7,7-difluoro-1-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride is C[C@]12CNCC[C@H]1C2(F)F.Cl.
What is the InChIKey of (1R,6R)-7,7-difluoro-1-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride?
The InChIKey is UAQGXFASHBMEOD-IBTYICNHSA-N. The full InChI is InChI=1S/C7H11F2N.ClH/c1-6-4-10-3-2-5(6)7(6,8)9;/h5,10H,2-4H2,1H3;1H/t5-,6+;/m1./s1.
What are the key properties of (1R,6R)-7,7-difluoro-1-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride?
(1R,6R)-7,7-difluoro-1-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride has a molecular weight of 183.63 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-7,7-difluoro-1-methyl-3-azabicyclo[4.1.0]heptane;hydrochloride is sourced from PubChem (CID 146082174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).