N-(1,1-difluoroprop-1-en-2-yl)formamide

C4H5F2NO — CID 174767420

IUPACN-(1,1-difluoroprop-1-en-2-yl)formamide
SMILESCC(NC=O)=C(F)F
InChIInChI=1S/C4H5F2NO/c1-3(4(5)6)7-2-8/h2H,1H3,(H,7,8)
InChIKeyQOLLXVQXDGPIRA-UHFFFAOYSA-N
MW121.09 g/mol
LogP0.86
Rot. Bonds2

About N-(1,1-difluoroprop-1-en-2-yl)formamide

N-(1,1-difluoroprop-1-en-2-yl)formamide (PubChem CID 174767420) has the molecular formula C4H5F2NO and a molecular weight of 121.09 g/mol. Its IUPAC name is N-(1,1-difluoroprop-1-en-2-yl)formamide.

Molecular Properties

Compound NameN-(1,1-difluoroprop-1-en-2-yl)formamide
PubChem CID174767420
Molecular FormulaC4H5F2NO
Molecular Weight121.09 g/mol
Exact Mass121.03
IUPAC NameN-(1,1-difluoroprop-1-en-2-yl)formamide
SMILESCC(NC=O)=C(F)F
InChIInChI=1S/C4H5F2NO/c1-3(4(5)6)7-2-8/h2H,1H3,(H,7,8)
InChIKeyQOLLXVQXDGPIRA-UHFFFAOYSA-N
XLogP0.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.09
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[C-methyl-N-[(Z)-prop-1-enyl]carbonimidoyl]formamide
CID 136593314
ethane;N-formyl-2,3-dimethylbut-2-enamide
CID 142271872
N-[(E)-1-fluorobut-2-en-2-yl]formamide
CID 143269554
N-formylprop-2-enamide;bis(propan-2-one)
CID 22614021
N-(dimethylcarbamoyl)formamide
CID 21483017
(Z)-2-formamido-3-hydroxybut-2-enamide
CID 131854326
methyl (Z)-4,4,4-trifluoro-2-formamido-3-methylbut-2-enoate
CID 46217578
(E)-3-bromo-2-methylprop-2-enal
CID 11008075
N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]formamide
CID 142315357
N-[5-hydroxy-3-(pentan-3-yldisulfanyl)pent-2-en-2-yl]formamide
CID 139774925
4-formamido-2-methyl-4-oxobutanoic acid
CID 169139394
N-carbamoylformamide;hydrate
CID 174813959

Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoroprop-1-en-2-yl)formamide?
The IUPAC name of N-(1,1-difluoroprop-1-en-2-yl)formamide (CID 174767420) is N-(1,1-difluoroprop-1-en-2-yl)formamide.
What is the SMILES notation for N-(1,1-difluoroprop-1-en-2-yl)formamide?
The canonical SMILES for N-(1,1-difluoroprop-1-en-2-yl)formamide is CC(NC=O)=C(F)F.
What is the InChIKey of N-(1,1-difluoroprop-1-en-2-yl)formamide?
The InChIKey is QOLLXVQXDGPIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2NO/c1-3(4(5)6)7-2-8/h2H,1H3,(H,7,8).
What are the key properties of N-(1,1-difluoroprop-1-en-2-yl)formamide?
N-(1,1-difluoroprop-1-en-2-yl)formamide has a molecular weight of 121.09 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoroprop-1-en-2-yl)formamide is sourced from PubChem (CID 174767420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).