N-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-imine

C7H10F3N — CID 123183807

IUPACN-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-imine
SMILESC=C(/N=C(\C)CC)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-4-5(2)11-6(3)7(8,9)10/h3-4H2,1-2H3/b11-5+
InChIKeyQLVNXJQZWQYZGB-VZUCSPMQSA-N
MW165.16 g/mol
LogP2.93
Rot. Bonds2

About N-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-imine

N-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-imine (PubChem CID 123183807) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is N-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-imine.

Molecular Properties

Compound NameN-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-imine
PubChem CID123183807
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC NameN-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-imine
SMILESC=C(/N=C(\C)CC)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-4-5(2)11-6(3)7(8,9)10/h3-4H2,1-2H3/b11-5+
InChIKeyQLVNXJQZWQYZGB-VZUCSPMQSA-N
XLogP2.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(3,3,3-trifluoroprop-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-(1-fluoroethenyl)butan-2-imine
CID 91617265
N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]propan-2-imine
CID 118183261
N-(3,3,3-trifluoroprop-1-en-2-yl)propan-2-imine
CID 123141114
N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-imine
CID 123498961
N-(1,1-difluoroprop-1-en-2-yl)butan-2-imine
CID 123679935
N-(1,1,1-trifluorobut-2-en-2-yl)propan-2-imine
CID 123861286
1,1,1-trifluoro-N-prop-1-en-2-ylpropan-2-imine
CID 145380727
N-(4,4,4-trifluorobut-1-en-2-yl)butan-2-imine
CID 146618655
N-[(Z)-but-2-en-2-yl]-3,3-difluorobutan-2-imine
CID 153337806
N-(3,3-difluorobut-1-en-2-yl)butan-2-imine
CID 169127834
3-Ethyl-5-(trifluoromethyl)-1lambda3-ioda-4-azacyclohexa-1,3,5-triene
CID 162614786
N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine
CID 168972404

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-imine?
The IUPAC name of N-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-imine (CID 123183807) is N-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-imine.
What is the SMILES notation for N-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-imine?
The canonical SMILES for N-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-imine is C=C(/N=C(\C)CC)C(F)(F)F.
What is the InChIKey of N-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-imine?
The InChIKey is QLVNXJQZWQYZGB-VZUCSPMQSA-N. The full InChI is InChI=1S/C7H10F3N/c1-4-5(2)11-6(3)7(8,9)10/h3-4H2,1-2H3/b11-5+.
What are the key properties of N-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-imine?
N-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-imine has a molecular weight of 165.16 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoroprop-1-en-2-yl)butan-2-imine is sourced from PubChem (CID 123183807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).