7,7-difluoro-3-azabicyclo[4.1.0]heptane-6-carboxylic acid

C7H9F2NO2 — CID 121207590

IUPAC7,7-difluoro-3-azabicyclo[4.1.0]heptane-6-carboxylic acid
SMILESO=C(O)C12CCNCC1C2(F)F
InChIInChI=1S/C7H9F2NO2/c8-7(9)4-3-10-2-1-6(4,7)5(11)12/h4,10H,1-3H2,(H,11,12)
InChIKeyQLVIVPPZBMBDME-UHFFFAOYSA-N
MW177.15 g/mol
LogP0.32
Rot. Bonds1

About 7,7-difluoro-3-azabicyclo[4.1.0]heptane-6-carboxylic acid

7,7-difluoro-3-azabicyclo[4.1.0]heptane-6-carboxylic acid (PubChem CID 121207590) has the molecular formula C7H9F2NO2 and a molecular weight of 177.15 g/mol. Its IUPAC name is 7,7-difluoro-3-azabicyclo[4.1.0]heptane-6-carboxylic acid.

Molecular Properties

Compound Name7,7-difluoro-3-azabicyclo[4.1.0]heptane-6-carboxylic acid
PubChem CID121207590
Molecular FormulaC7H9F2NO2
Molecular Weight177.15 g/mol
Exact Mass177.06
IUPAC Name7,7-difluoro-3-azabicyclo[4.1.0]heptane-6-carboxylic acid
SMILESO=C(O)C12CCNCC1C2(F)F
InChIInChI=1S/C7H9F2NO2/c8-7(9)4-3-10-2-1-6(4,7)5(11)12/h4,10H,1-3H2,(H,11,12)
InChIKeyQLVIVPPZBMBDME-UHFFFAOYSA-N
XLogP0.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.15
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 7,7-difluoro-3-azabicyclo[4.1.0]heptane-6-carboxylate
CID 121207594
(1S,6R)-7,7-difluoro-3-azabicyclo[4.1.0]heptane-1-carboxylic acid
CID 129320998
(1S,6S)-7,7-difluoro-3-azabicyclo[4.1.0]heptane-1-carboxylic acid
CID 129321000
2,2-difluoro-5-methyl-7-azaspiro[2.6]nonane-1-carboxylic acid
CID 156736162
(1R,5S)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-1-carboxylic acid
CID 175884056
7,7-difluoro-6-thiophen-3-yl-3-azabicyclo[4.1.0]heptane
CID 121209257
4-acetamido-3-methylpiperidine-4-carboxylic acid
CID 114500616
1-[(1R,6S)-3-azabicyclo[4.1.0]heptan-6-yl]ethanone
CID 118681176
4,4-dimethylpiperidine-3-carboxylic acid
CID 83669924
8-azaspiro[4.5]decane-10-carboxylic acid
CID 91278637
(1R)-2,2-difluoro-6-azabicyclo[3.2.2]nonane-5-carboxylic acid;hydrochloride
CID 73357666
2,2-difluorospiro[2.2]pentane-1-carboxylic acid
CID 136575763

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-3-azabicyclo[4.1.0]heptane-6-carboxylic acid?
The IUPAC name of 7,7-difluoro-3-azabicyclo[4.1.0]heptane-6-carboxylic acid (CID 121207590) is 7,7-difluoro-3-azabicyclo[4.1.0]heptane-6-carboxylic acid.
What is the SMILES notation for 7,7-difluoro-3-azabicyclo[4.1.0]heptane-6-carboxylic acid?
The canonical SMILES for 7,7-difluoro-3-azabicyclo[4.1.0]heptane-6-carboxylic acid is O=C(O)C12CCNCC1C2(F)F.
What is the InChIKey of 7,7-difluoro-3-azabicyclo[4.1.0]heptane-6-carboxylic acid?
The InChIKey is QLVIVPPZBMBDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO2/c8-7(9)4-3-10-2-1-6(4,7)5(11)12/h4,10H,1-3H2,(H,11,12).
What are the key properties of 7,7-difluoro-3-azabicyclo[4.1.0]heptane-6-carboxylic acid?
7,7-difluoro-3-azabicyclo[4.1.0]heptane-6-carboxylic acid has a molecular weight of 177.15 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-3-azabicyclo[4.1.0]heptane-6-carboxylic acid is sourced from PubChem (CID 121207590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).