1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclopentane-1-carboxamide

C10H14F2N2O2 — CID 104857287

IUPAC1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCC(F)(F)CO)CCCC1
InChIInChI=1S/C10H14F2N2O2/c11-10(12,7-15)6-14-8(16)9(5-13)3-1-2-4-9/h15H,1-4,6-7H2,(H,14,16)
InChIKeyYFPKILAIXJWITE-UHFFFAOYSA-N
MW232.23 g/mol
LogP0.81
Rot. Bonds4

About 1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclopentane-1-carboxamide

1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclopentane-1-carboxamide (PubChem CID 104857287) has the molecular formula C10H14F2N2O2 and a molecular weight of 232.23 g/mol. Its IUPAC name is 1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclopentane-1-carboxamide
PubChem CID104857287
Molecular FormulaC10H14F2N2O2
Molecular Weight232.23 g/mol
Exact Mass232.10
IUPAC Name1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)NCC(F)(F)CO)CCCC1
InChIInChI=1S/C10H14F2N2O2/c11-10(12,7-15)6-14-8(16)9(5-13)3-1-2-4-9/h15H,1-4,6-7H2,(H,14,16)
InChIKeyYFPKILAIXJWITE-UHFFFAOYSA-N
XLogP0.81
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclopentane-1-carboxamide (CID 104857287) is 1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclopentane-1-carboxamide is N#CC1(C(=O)NCC(F)(F)CO)CCCC1.
What is the InChIKey of 1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclopentane-1-carboxamide?
The InChIKey is YFPKILAIXJWITE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O2/c11-10(12,7-15)6-14-8(16)9(5-13)3-1-2-4-9/h15H,1-4,6-7H2,(H,14,16).
What are the key properties of 1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclopentane-1-carboxamide?
1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclopentane-1-carboxamide has a molecular weight of 232.23 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(2,2-difluoro-3-hydroxypropyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 104857287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).