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

C7H11F2N — CID 177157525

IUPAC(1R,6R)-7,7-difluoro-3-methyl-3-azabicyclo[4.1.0]heptane
SMILESCN1CC[C@@H]2[C@H](C1)C2(F)F
InChIInChI=1S/C7H11F2N/c1-10-3-2-5-6(4-10)7(5,8)9/h5-6H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyXTVNFRTVHQCIHJ-RITPCOANSA-N
MW147.17 g/mol
LogP1.20
Rot. Bonds

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

(1R,6R)-7,7-difluoro-3-methyl-3-azabicyclo[4.1.0]heptane (PubChem CID 177157525) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is (1R,6R)-7,7-difluoro-3-methyl-3-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name(1R,6R)-7,7-difluoro-3-methyl-3-azabicyclo[4.1.0]heptane
PubChem CID177157525
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(1R,6R)-7,7-difluoro-3-methyl-3-azabicyclo[4.1.0]heptane
SMILESCN1CC[C@@H]2[C@H](C1)C2(F)F
InChIInChI=1S/C7H11F2N/c1-10-3-2-5-6(4-10)7(5,8)9/h5-6H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyXTVNFRTVHQCIHJ-RITPCOANSA-N
XLogP1.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-1,3-dimethylpyrrolidine;ethane
CID 90814408
ethane;fluoromethane;3-fluoro-1-methylpyrrolidine
CID 177157428
(3R)-1,3-dimethylpyrrolidine
CID 58412242
ethane;1-methyl-3-(trifluoromethyl)pyrrolidine
CID 177172924
ethane;1,3,4-trimethylpiperidine
CID 142222872
ethane;1-methylpyrrolidine-3-thiol
CID 155717252
1-methyl-3-[(1-methylpyrrolidin-3-yl)disulfanyl]pyrrolidine
CID 146227450
3-fluoro-1-methylpyrrolidine;methoxymethane
CID 162743316
(1S,6S)-3-methyl-7-oxa-3-azabicyclo[4.1.0]heptane
CID 124845520
ethane;1-methylpiperidin-4-amine
CID 123622295
(3aS,6aR)-4,4-difluoro-2-methyl-1,3,3a,5,6,6a-hexahydrocyclopenta[c]pyrrole
CID 177157131
N-(bromomethyl)-N,1-dimethylpyrrolidin-3-amine
CID 115261820

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-7,7-difluoro-3-methyl-3-azabicyclo[4.1.0]heptane?
The IUPAC name of (1R,6R)-7,7-difluoro-3-methyl-3-azabicyclo[4.1.0]heptane (CID 177157525) is (1R,6R)-7,7-difluoro-3-methyl-3-azabicyclo[4.1.0]heptane.
What is the SMILES notation for (1R,6R)-7,7-difluoro-3-methyl-3-azabicyclo[4.1.0]heptane?
The canonical SMILES for (1R,6R)-7,7-difluoro-3-methyl-3-azabicyclo[4.1.0]heptane is CN1CC[C@@H]2[C@H](C1)C2(F)F.
What is the InChIKey of (1R,6R)-7,7-difluoro-3-methyl-3-azabicyclo[4.1.0]heptane?
The InChIKey is XTVNFRTVHQCIHJ-RITPCOANSA-N. The full InChI is InChI=1S/C7H11F2N/c1-10-3-2-5-6(4-10)7(5,8)9/h5-6H,2-4H2,1H3/t5-,6+/m1/s1.
What are the key properties of (1R,6R)-7,7-difluoro-3-methyl-3-azabicyclo[4.1.0]heptane?
(1R,6R)-7,7-difluoro-3-methyl-3-azabicyclo[4.1.0]heptane has a molecular weight of 147.17 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-7,7-difluoro-3-methyl-3-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 177157525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).