N-(1,1-difluoroprop-1-en-2-yl)butan-2-imine

C7H11F2N — CID 123679935

IUPACN-(1,1-difluoroprop-1-en-2-yl)butan-2-imine
SMILESCC/C(C)=N/C(C)=C(F)F
InChIInChI=1S/C7H11F2N/c1-4-5(2)10-6(3)7(8)9/h4H2,1-3H3/b10-5+
InChIKeyBOFLWVIRRQKDID-BJMVGYQFSA-N
MW147.17 g/mol
LogP2.99
Rot. Bonds2

About N-(1,1-difluoroprop-1-en-2-yl)butan-2-imine

N-(1,1-difluoroprop-1-en-2-yl)butan-2-imine (PubChem CID 123679935) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is N-(1,1-difluoroprop-1-en-2-yl)butan-2-imine.

Molecular Properties

Compound NameN-(1,1-difluoroprop-1-en-2-yl)butan-2-imine
PubChem CID123679935
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC NameN-(1,1-difluoroprop-1-en-2-yl)butan-2-imine
SMILESCC/C(C)=N/C(C)=C(F)F
InChIInChI=1S/C7H11F2N/c1-4-5(2)10-6(3)7(8)9/h4H2,1-3H3/b10-5+
InChIKeyBOFLWVIRRQKDID-BJMVGYQFSA-N
XLogP2.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(1,1-difluoroprop-1-en-2-yl)butan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,3,3-trifluoroprop-1-en-2-yl)propan-2-imine
CID 123141114
N-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-imine
CID 123183807
1,1,1-trifluoro-N-prop-1-en-2-ylpropan-2-imine
CID 145380727
N-[(Z)-1,2-difluoroprop-1-enyl]propan-2-imine
CID 176707597
N-[(Z)-1,2-difluoroprop-1-enyl]propan-2-imine;ethane
CID 176707596

Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoroprop-1-en-2-yl)butan-2-imine?
The IUPAC name of N-(1,1-difluoroprop-1-en-2-yl)butan-2-imine (CID 123679935) is N-(1,1-difluoroprop-1-en-2-yl)butan-2-imine.
What is the SMILES notation for N-(1,1-difluoroprop-1-en-2-yl)butan-2-imine?
The canonical SMILES for N-(1,1-difluoroprop-1-en-2-yl)butan-2-imine is CC/C(C)=N/C(C)=C(F)F.
What is the InChIKey of N-(1,1-difluoroprop-1-en-2-yl)butan-2-imine?
The InChIKey is BOFLWVIRRQKDID-BJMVGYQFSA-N. The full InChI is InChI=1S/C7H11F2N/c1-4-5(2)10-6(3)7(8)9/h4H2,1-3H3/b10-5+.
What are the key properties of N-(1,1-difluoroprop-1-en-2-yl)butan-2-imine?
N-(1,1-difluoroprop-1-en-2-yl)butan-2-imine has a molecular weight of 147.17 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 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)butan-2-imine is sourced from PubChem (CID 123679935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).