3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide

C7H9F2NO — CID 162605740

IUPAC3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide
SMILESNC(=O)C1C2CC(F)(F)CC21
InChIInChI=1S/C7H9F2NO/c8-7(9)1-3-4(2-7)5(3)6(10)11/h3-5H,1-2H2,(H2,10,11)
InChIKeyZHGBLXQAYBOMSE-UHFFFAOYSA-N
MW161.15 g/mol
LogP0.76
Rot. Bonds1

About 3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide

3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 162605740) has the molecular formula C7H9F2NO and a molecular weight of 161.15 g/mol. Its IUPAC name is 3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide
PubChem CID162605740
Molecular FormulaC7H9F2NO
Molecular Weight161.15 g/mol
Exact Mass161.07
IUPAC Name3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide
SMILESNC(=O)C1C2CC(F)(F)CC21
InChIInChI=1S/C7H9F2NO/c8-7(9)1-3-4(2-7)5(3)6(10)11/h3-5H,1-2H2,(H2,10,11)
InChIKeyZHGBLXQAYBOMSE-UHFFFAOYSA-N
XLogP0.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.15
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bicyclo[6.1.0]nonane-9-carboxamide
CID 10012283
1-(3-fluoro-3-methyl-6-bicyclo[3.1.0]hexanyl)ethanone
CID 178011626
3,3-difluorocyclobutane-1-carbonyl chloride
CID 83855003
(1S,5R)-3,3-difluoro-6-methylbicyclo[3.1.0]hexane
CID 159654618
trans-(1S,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid
CID 126970437
cis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid
CID 5275652
(3,3-difluorocyclobutyl)-piperidin-1-ylmethanone
CID 131196465
(2R)-2-amino-2-(3,3-difluorocyclobutyl)acetic acid;hydrochloride
CID 135392975
cis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid;hydrochloride
CID 45262187
(1R,5S)-5-[[(1R,5S)-3,3-difluorobicyclo[3.1.0]hexane-6-carbonyl]amino]cyclohex-3-ene-1-carboxylic acid
CID 167785474
acetic acid;3,3-difluorocyclobutane-1-thiol
CID 175132258
1-(3,3-difluorocyclobutyl)-2-methylpropan-1-one
CID 58812212

Frequently Asked Questions

What is the IUPAC name of 3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide?
The IUPAC name of 3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide (CID 162605740) is 3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide.
What is the SMILES notation for 3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide?
The canonical SMILES for 3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide is NC(=O)C1C2CC(F)(F)CC21.
What is the InChIKey of 3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is ZHGBLXQAYBOMSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2NO/c8-7(9)1-3-4(2-7)5(3)6(10)11/h3-5H,1-2H2,(H2,10,11).
What are the key properties of 3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide?
3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 161.15 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluorobicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 162605740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).