cyanomethyl 2,2-difluorocyclopentane-1-carboxylate

C8H9F2NO2 — CID 130634596

IUPACcyanomethyl 2,2-difluorocyclopentane-1-carboxylate
SMILESN#CCOC(=O)C1CCCC1(F)F
InChIInChI=1S/C8H9F2NO2/c9-8(10)3-1-2-6(8)7(12)13-5-4-11/h6H,1-3,5H2
InChIKeyQUXZLTORWKCMKM-UHFFFAOYSA-N
MW189.16 g/mol
LogP1.49
Rot. Bonds2

About cyanomethyl 2,2-difluorocyclopentane-1-carboxylate

cyanomethyl 2,2-difluorocyclopentane-1-carboxylate (PubChem CID 130634596) has the molecular formula C8H9F2NO2 and a molecular weight of 189.16 g/mol. Its IUPAC name is cyanomethyl 2,2-difluorocyclopentane-1-carboxylate.

Molecular Properties

Compound Namecyanomethyl 2,2-difluorocyclopentane-1-carboxylate
PubChem CID130634596
Molecular FormulaC8H9F2NO2
Molecular Weight189.16 g/mol
Exact Mass189.06
IUPAC Namecyanomethyl 2,2-difluorocyclopentane-1-carboxylate
SMILESN#CCOC(=O)C1CCCC1(F)F
InChIInChI=1S/C8H9F2NO2/c9-8(10)3-1-2-6(8)7(12)13-5-4-11/h6H,1-3,5H2
InChIKeyQUXZLTORWKCMKM-UHFFFAOYSA-N
XLogP1.49
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyanomethyl 2,2-difluorocyclopentane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2,2-difluorocyclobutane-1-carboxylate
CID 130638255
cyanomethyl spiro[2.3]hexane-2-carboxylate
CID 130614827
cyanomethyl piperidine-2-carboxylate
CID 141438271
ethyl 3,3-difluoropiperidine-4-carboxylate
CID 105446715
2-[(2,2-difluorocyclopentanecarbonyl)amino]acetic acid
CID 130636476
propyl 2,2-dimethylcyclopentane-1-carboxylate
CID 104918779
cyanomethyl cyclopent-2-ene-1-carboxylate
CID 167484011
1-(2,2-difluorocyclohexyl)ethanone
CID 131187691
(1R)-2,2-difluorocycloheptane-1-carboxylic acid
CID 97297799
N-cyclopropyl-2,2-difluorocyclopentane-1-carboxamide
CID 131101773
cyanomethyl 2-oxabicyclo[4.1.0]heptane-7-carboxylate
CID 130618772
cyanomethyl 2-methyloxane-3-carboxylate
CID 130694328

Frequently Asked Questions

What is the IUPAC name of cyanomethyl 2,2-difluorocyclopentane-1-carboxylate?
The IUPAC name of cyanomethyl 2,2-difluorocyclopentane-1-carboxylate (CID 130634596) is cyanomethyl 2,2-difluorocyclopentane-1-carboxylate.
What is the SMILES notation for cyanomethyl 2,2-difluorocyclopentane-1-carboxylate?
The canonical SMILES for cyanomethyl 2,2-difluorocyclopentane-1-carboxylate is N#CCOC(=O)C1CCCC1(F)F.
What is the InChIKey of cyanomethyl 2,2-difluorocyclopentane-1-carboxylate?
The InChIKey is QUXZLTORWKCMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2/c9-8(10)3-1-2-6(8)7(12)13-5-4-11/h6H,1-3,5H2.
What are the key properties of cyanomethyl 2,2-difluorocyclopentane-1-carboxylate?
cyanomethyl 2,2-difluorocyclopentane-1-carboxylate has a molecular weight of 189.16 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethyl 2,2-difluorocyclopentane-1-carboxylate is sourced from PubChem (CID 130634596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).