2-(aminomethyl)-4,4-difluorocyclopentane-1-carboxylic acid

C7H11F2NO2 — CID 105437824

IUPAC2-(aminomethyl)-4,4-difluorocyclopentane-1-carboxylic acid
SMILESNCC1CC(F)(F)CC1C(=O)O
InChIInChI=1S/C7H11F2NO2/c8-7(9)1-4(3-10)5(2-7)6(11)12/h4-5H,1-3,10H2,(H,11,12)
InChIKeyZTRYFCNLXZQZAR-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.69
Rot. Bonds2

About 2-(aminomethyl)-4,4-difluorocyclopentane-1-carboxylic acid

2-(aminomethyl)-4,4-difluorocyclopentane-1-carboxylic acid (PubChem CID 105437824) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2-(aminomethyl)-4,4-difluorocyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(aminomethyl)-4,4-difluorocyclopentane-1-carboxylic acid
PubChem CID105437824
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name2-(aminomethyl)-4,4-difluorocyclopentane-1-carboxylic acid
SMILESNCC1CC(F)(F)CC1C(=O)O
InChIInChI=1S/C7H11F2NO2/c8-7(9)1-4(3-10)5(2-7)6(11)12/h4-5H,1-3,10H2,(H,11,12)
InChIKeyZTRYFCNLXZQZAR-UHFFFAOYSA-N
XLogP0.69
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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
cis-(1R,2S)-2-amino-4,4-difluorocyclopentane-1-carboxylic acid;hydrochloride
CID 45262187
2-amino-5,5-difluorocyclohexane-1-carboxylic acid
CID 83854797
2-(aminomethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 78144501
4,4-difluoro-2-methylcyclopentan-1-amine
CID 168962386
3-(bromomethyl)-3-fluorocyclobutane-1-carboxylic acid
CID 131024071
(3,3-difluorocyclobutyl)methanamine
CID 45480376
bicyclo[2.2.1]hept-5-ene-2-carboxylic acid;[(2S)-2-bicyclo[2.2.1]hept-5-enyl]methanamine
CID 44889483
(1S,2R,3S)-2-(aminomethyl)-3-methylcyclopentane-1-carboxylic acid
CID 95757429
cis-(1R,2R)-2-(fluoromethyl)cyclobutane-1-carboxylic acid
CID 96581648
tert-butyl 2-(aminomethyl)-4,4-difluoropyrrolidine-1-carboxylate
CID 122411574

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4,4-difluorocyclopentane-1-carboxylic acid?
The IUPAC name of 2-(aminomethyl)-4,4-difluorocyclopentane-1-carboxylic acid (CID 105437824) is 2-(aminomethyl)-4,4-difluorocyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(aminomethyl)-4,4-difluorocyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(aminomethyl)-4,4-difluorocyclopentane-1-carboxylic acid is NCC1CC(F)(F)CC1C(=O)O.
What is the InChIKey of 2-(aminomethyl)-4,4-difluorocyclopentane-1-carboxylic acid?
The InChIKey is ZTRYFCNLXZQZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c8-7(9)1-4(3-10)5(2-7)6(11)12/h4-5H,1-3,10H2,(H,11,12).
What are the key properties of 2-(aminomethyl)-4,4-difluorocyclopentane-1-carboxylic acid?
2-(aminomethyl)-4,4-difluorocyclopentane-1-carboxylic acid has a molecular weight of 179.17 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4,4-difluorocyclopentane-1-carboxylic acid is sourced from PubChem (CID 105437824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).