N-(3,3-difluoroprop-1-en-2-ylamino)formamide

C4H6F2N2O — CID 145239038

IUPACN-(3,3-difluoroprop-1-en-2-ylamino)formamide
SMILESC=C(NNC=O)C(F)F
InChIInChI=1S/C4H6F2N2O/c1-3(4(5)6)8-7-2-9/h2,4,8H,1H2,(H,7,9)
InChIKeyCPVXHYGMKKFDCA-UHFFFAOYSA-N
MW136.10 g/mol
LogP0.02
Rot. Bonds4

About N-(3,3-difluoroprop-1-en-2-ylamino)formamide

N-(3,3-difluoroprop-1-en-2-ylamino)formamide (PubChem CID 145239038) has the molecular formula C4H6F2N2O and a molecular weight of 136.10 g/mol. Its IUPAC name is N-(3,3-difluoroprop-1-en-2-ylamino)formamide.

Molecular Properties

Compound NameN-(3,3-difluoroprop-1-en-2-ylamino)formamide
PubChem CID145239038
Molecular FormulaC4H6F2N2O
Molecular Weight136.10 g/mol
Exact Mass136.04
IUPAC NameN-(3,3-difluoroprop-1-en-2-ylamino)formamide
SMILESC=C(NNC=O)C(F)F
InChIInChI=1S/C4H6F2N2O/c1-3(4(5)6)8-7-2-9/h2,4,8H,1H2,(H,7,9)
InChIKeyCPVXHYGMKKFDCA-UHFFFAOYSA-N
XLogP0.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.10
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-aminoethenylamino)formamide
CID 45371728
N-[(2-cyano-2-methylpropanoyl)amino]formamide
CID 130628791
2-(2-formylhydrazinyl)-2-oxoacetamide
CID 13388212
N-(dimethylcarbamoylamino)formamide
CID 57038201
(E)-2,3,4,4-tetrafluorobut-2-enal
CID 174819569
fluoroform;formic acid
CID 23325859
N-[[(2S)-2-amino-4-methylpentanoyl]amino]formamide
CID 170202980
N-(hydroxymethylamino)formamide
CID 57453505
N-(2-hydroxyprop-2-enyl)formamide
CID 87223348
(Z)-1-bromo-1,3,4,4-tetrafluorobut-1-ene
CID 22561197
(E)-2,4,4-trifluorobut-2-enal
CID 168983603
N-[[N'-methyl-N-(methylcarbamoylamino)carbamimidoyl]amino]formamide
CID 119097165

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoroprop-1-en-2-ylamino)formamide?
The IUPAC name of N-(3,3-difluoroprop-1-en-2-ylamino)formamide (CID 145239038) is N-(3,3-difluoroprop-1-en-2-ylamino)formamide.
What is the SMILES notation for N-(3,3-difluoroprop-1-en-2-ylamino)formamide?
The canonical SMILES for N-(3,3-difluoroprop-1-en-2-ylamino)formamide is C=C(NNC=O)C(F)F.
What is the InChIKey of N-(3,3-difluoroprop-1-en-2-ylamino)formamide?
The InChIKey is CPVXHYGMKKFDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2N2O/c1-3(4(5)6)8-7-2-9/h2,4,8H,1H2,(H,7,9).
What are the key properties of N-(3,3-difluoroprop-1-en-2-ylamino)formamide?
N-(3,3-difluoroprop-1-en-2-ylamino)formamide has a molecular weight of 136.10 g/mol, XLogP of 0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoroprop-1-en-2-ylamino)formamide is sourced from PubChem (CID 145239038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).