N-(1-cyano-3,3-difluoropentyl)formamide

C7H10F2N2O — CID 177034190

IUPACN-(1-cyano-3,3-difluoropentyl)formamide
SMILESCCC(F)(F)CC(C#N)NC=O
InChIInChI=1S/C7H10F2N2O/c1-2-7(8,9)3-6(4-10)11-5-12/h5-6H,2-3H2,1H3,(H,11,12)
InChIKeyHROSGVBQUBTWKM-UHFFFAOYSA-N
MW176.17 g/mol
LogP1.06
Rot. Bonds5

About N-(1-cyano-3,3-difluoropentyl)formamide

N-(1-cyano-3,3-difluoropentyl)formamide (PubChem CID 177034190) has the molecular formula C7H10F2N2O and a molecular weight of 176.17 g/mol. Its IUPAC name is N-(1-cyano-3,3-difluoropentyl)formamide.

Molecular Properties

Compound NameN-(1-cyano-3,3-difluoropentyl)formamide
PubChem CID177034190
Molecular FormulaC7H10F2N2O
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC NameN-(1-cyano-3,3-difluoropentyl)formamide
SMILESCCC(F)(F)CC(C#N)NC=O
InChIInChI=1S/C7H10F2N2O/c1-2-7(8,9)3-6(4-10)11-5-12/h5-6H,2-3H2,1H3,(H,11,12)
InChIKeyHROSGVBQUBTWKM-UHFFFAOYSA-N
XLogP1.06
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-3,3-difluoropentyl)formamide?
The IUPAC name of N-(1-cyano-3,3-difluoropentyl)formamide (CID 177034190) is N-(1-cyano-3,3-difluoropentyl)formamide.
What is the SMILES notation for N-(1-cyano-3,3-difluoropentyl)formamide?
The canonical SMILES for N-(1-cyano-3,3-difluoropentyl)formamide is CCC(F)(F)CC(C#N)NC=O.
What is the InChIKey of N-(1-cyano-3,3-difluoropentyl)formamide?
The InChIKey is HROSGVBQUBTWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O/c1-2-7(8,9)3-6(4-10)11-5-12/h5-6H,2-3H2,1H3,(H,11,12).
What are the key properties of N-(1-cyano-3,3-difluoropentyl)formamide?
N-(1-cyano-3,3-difluoropentyl)formamide has a molecular weight of 176.17 g/mol, XLogP of 1.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyano-3,3-difluoropentyl)formamide is sourced from PubChem (CID 177034190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).