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

C6H8F2N2O — CID 18337049

IUPACN-(1-cyano-3,3-difluorobutyl)formamide
SMILESCC(F)(F)CC(C#N)NC=O
InChIInChI=1S/C6H8F2N2O/c1-6(7,8)2-5(3-9)10-4-11/h4-5H,2H2,1H3,(H,10,11)
InChIKeyZIMSJNBCBIJYKU-UHFFFAOYSA-N
MW162.14 g/mol
LogP0.67
Rot. Bonds4

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

N-(1-cyano-3,3-difluorobutyl)formamide (PubChem CID 18337049) has the molecular formula C6H8F2N2O and a molecular weight of 162.14 g/mol. Its IUPAC name is N-(1-cyano-3,3-difluorobutyl)formamide.

Molecular Properties

Compound NameN-(1-cyano-3,3-difluorobutyl)formamide
PubChem CID18337049
Molecular FormulaC6H8F2N2O
Molecular Weight162.14 g/mol
Exact Mass162.06
IUPAC NameN-(1-cyano-3,3-difluorobutyl)formamide
SMILESCC(F)(F)CC(C#N)NC=O
InChIInChI=1S/C6H8F2N2O/c1-6(7,8)2-5(3-9)10-4-11/h4-5H,2H2,1H3,(H,10,11)
InChIKeyZIMSJNBCBIJYKU-UHFFFAOYSA-N
XLogP0.67
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.14
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 87289179
N-(1-cyanobutyl)-2,2,2-trifluoroacetamide
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N-(1-cyanobutan-2-yl)-2,2,2-trifluoroacetamide
CID 62647587
N-(1-cyanobutyl)-2,2-difluoroacetamide
CID 103513726
N-(1-cyanobutan-2-yl)-2,2-difluoroacetamide
CID 103513756
1-(1-Cyanobutyl)-3-(2,2,2-trifluoroethyl)urea
CID 116012931
N-(2,2-difluorohexan-3-yl)formamide
CID 143146643
N-(1-cyano-3,3-difluoropentyl)formamide
CID 177034190
N-(1-cyanopropyl)formamide
CID 19979685
N-(1-cyanopentyl)formamide
CID 54331880
N-(1-cyanobutyl)formamide
CID 55286734
N-(1-cyanopropan-2-yl)formamide
CID 64992630

Frequently Asked Questions

What is the IUPAC name of N-(1-cyano-3,3-difluorobutyl)formamide?
The IUPAC name of N-(1-cyano-3,3-difluorobutyl)formamide (CID 18337049) is N-(1-cyano-3,3-difluorobutyl)formamide.
What is the SMILES notation for N-(1-cyano-3,3-difluorobutyl)formamide?
The canonical SMILES for N-(1-cyano-3,3-difluorobutyl)formamide is CC(F)(F)CC(C#N)NC=O.
What is the InChIKey of N-(1-cyano-3,3-difluorobutyl)formamide?
The InChIKey is ZIMSJNBCBIJYKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2O/c1-6(7,8)2-5(3-9)10-4-11/h4-5H,2H2,1H3,(H,10,11).
What are the key properties of N-(1-cyano-3,3-difluorobutyl)formamide?
N-(1-cyano-3,3-difluorobutyl)formamide has a molecular weight of 162.14 g/mol, XLogP of 0.67, 4 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-difluorobutyl)formamide is sourced from PubChem (CID 18337049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).