N-(2,2-difluoroethyl)prop-2-en-1-imine

C5H7F2N — CID 163942878

IUPACN-(2,2-difluoroethyl)prop-2-en-1-imine
SMILESC=C/C=N/CC(F)F
InChIInChI=1S/C5H7F2N/c1-2-3-8-4-5(6)7/h2-3,5H,1,4H2/b8-3+
InChIKeyRSNYULAIWCDPIU-FPYGCLRLSA-N
MW119.11 g/mol
LogP1.51
Rot. Bonds3

About N-(2,2-difluoroethyl)prop-2-en-1-imine

N-(2,2-difluoroethyl)prop-2-en-1-imine (PubChem CID 163942878) has the molecular formula C5H7F2N and a molecular weight of 119.11 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)prop-2-en-1-imine
PubChem CID163942878
Molecular FormulaC5H7F2N
Molecular Weight119.11 g/mol
Exact Mass119.05
IUPAC NameN-(2,2-difluoroethyl)prop-2-en-1-imine
SMILESC=C/C=N/CC(F)F
InChIInChI=1S/C5H7F2N/c1-2-3-8-4-5(6)7/h2-3,5H,1,4H2/b8-3+
InChIKeyRSNYULAIWCDPIU-FPYGCLRLSA-N
XLogP1.51
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.11
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-fluoroethenyl)prop-2-en-1-imine
CID 91365283
3-fluoro-N-methylprop-2-en-1-imine
CID 123404468
(E)-4,4,4-trifluoro-N-methylbut-2-en-1-imine
CID 129163871
2,2-Difluoropyrrole
CID 141186356
(Z)-N-(1-fluoroethenyl)prop-2-en-1-imine
CID 144307296
N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-en-1-imine
CID 145679929
(2E)-2-fluoro-N-(trifluoromethyl)penta-2,4-dien-1-imine
CID 173471930
N-(1-fluoroethyl)prop-2-en-1-imine
CID 173813482
2,2,2-trifluoro-N-prop-2-enylethanimine
CID 11412416
2,2-Difluoroazepine
CID 174903955
Methylidene(prop-2-enylidene)azanium
CID 85679722
Methanidylidene(prop-2-enylidene)azanium
CID 57515107

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)prop-2-en-1-imine?
The IUPAC name of N-(2,2-difluoroethyl)prop-2-en-1-imine (CID 163942878) is N-(2,2-difluoroethyl)prop-2-en-1-imine.
What is the SMILES notation for N-(2,2-difluoroethyl)prop-2-en-1-imine?
The canonical SMILES for N-(2,2-difluoroethyl)prop-2-en-1-imine is C=C/C=N/CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)prop-2-en-1-imine?
The InChIKey is RSNYULAIWCDPIU-FPYGCLRLSA-N. The full InChI is InChI=1S/C5H7F2N/c1-2-3-8-4-5(6)7/h2-3,5H,1,4H2/b8-3+.
What are the key properties of N-(2,2-difluoroethyl)prop-2-en-1-imine?
N-(2,2-difluoroethyl)prop-2-en-1-imine has a molecular weight of 119.11 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)prop-2-en-1-imine is sourced from PubChem (CID 163942878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).