(1,2-difluorocyclopentyl)carbamic acid

C6H9F2NO2 — CID 67128390

IUPAC(1,2-difluorocyclopentyl)carbamic acid
SMILESO=C(O)NC1(F)CCCC1F
InChIInChI=1S/C6H9F2NO2/c7-4-2-1-3-6(4,8)9-5(10)11/h4,9H,1-3H2,(H,10,11)
InChIKeyAWWGQBRCJBCCSV-UHFFFAOYSA-N
MW165.14 g/mol
LogP1.44
Rot. Bonds1

About (1,2-difluorocyclopentyl)carbamic acid

(1,2-difluorocyclopentyl)carbamic acid (PubChem CID 67128390) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is (1,2-difluorocyclopentyl)carbamic acid.

Molecular Properties

Compound Name(1,2-difluorocyclopentyl)carbamic acid
PubChem CID67128390
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name(1,2-difluorocyclopentyl)carbamic acid
SMILESO=C(O)NC1(F)CCCC1F
InChIInChI=1S/C6H9F2NO2/c7-4-2-1-3-6(4,8)9-5(10)11/h4,9H,1-3H2,(H,10,11)
InChIKeyAWWGQBRCJBCCSV-UHFFFAOYSA-N
XLogP1.44
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1,2-difluorocyclopentyl)carbamic acid?
The IUPAC name of (1,2-difluorocyclopentyl)carbamic acid (CID 67128390) is (1,2-difluorocyclopentyl)carbamic acid.
What is the SMILES notation for (1,2-difluorocyclopentyl)carbamic acid?
The canonical SMILES for (1,2-difluorocyclopentyl)carbamic acid is O=C(O)NC1(F)CCCC1F.
What is the InChIKey of (1,2-difluorocyclopentyl)carbamic acid?
The InChIKey is AWWGQBRCJBCCSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2/c7-4-2-1-3-6(4,8)9-5(10)11/h4,9H,1-3H2,(H,10,11).
What are the key properties of (1,2-difluorocyclopentyl)carbamic acid?
(1,2-difluorocyclopentyl)carbamic acid has a molecular weight of 165.14 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-difluorocyclopentyl)carbamic acid is sourced from PubChem (CID 67128390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).