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

C6H8F3N — CID 123498961

IUPACN-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-imine
SMILESC=C(/N=C/CC)C(F)(F)F
InChIInChI=1S/C6H8F3N/c1-3-4-10-5(2)6(7,8)9/h4H,2-3H2,1H3/b10-4+
InChIKeyHONVDVWSMRLJGR-ONNFQVAWSA-N
MW151.13 g/mol
LogP2.54
Rot. Bonds2

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

N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-imine (PubChem CID 123498961) has the molecular formula C6H8F3N and a molecular weight of 151.13 g/mol. Its IUPAC name is N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-imine.

Molecular Properties

Compound NameN-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-imine
PubChem CID123498961
Molecular FormulaC6H8F3N
Molecular Weight151.13 g/mol
Exact Mass151.06
IUPAC NameN-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-imine
SMILESC=C(/N=C/CC)C(F)(F)F
InChIInChI=1S/C6H8F3N/c1-3-4-10-5(2)6(7,8)9/h4H,2-3H2,1H3/b10-4+
InChIKeyHONVDVWSMRLJGR-ONNFQVAWSA-N
XLogP2.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 52.54
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)propan-1-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

(E)-4-(3,3,3-trifluoroprop-1-en-2-ylimino)but-2-en-2-amine
CID 143245790
1,3-di(propylidene)guanidine
CID 174857851
2-(propylideneamino)prop-2-enenitrile
CID 90933430
N-[(3Z)-penta-1,3-dien-2-yl]propan-1-imine
CID 123701071
(Z)-2-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-2-en-1-imine
CID 139297390
N-(3,3,3-trifluoroprop-1-en-2-yl)methanimine
CID 162621100
N-penta-1,3,4-trien-2-ylpropan-1-imine
CID 123516148
(1Z)-3-methylidene-2-(methylideneamino)-1-[(Z)-propylideneamino]penta-1,4-dien-1-ol
CID 142879413
N-ethyl-2-(trifluoromethyl)prop-2-en-1-imine
CID 139563812
tert-butyl N-[1-(propylideneamino)ethenyl]carbamate
CID 174088644
propylidenethiourea
CID 57195256
N-[(E)-pent-2-en-2-yl]propan-1-imine
CID 147192367

Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-imine?
The IUPAC name of N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-imine (CID 123498961) is N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-imine.
What is the SMILES notation for N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-imine?
The canonical SMILES for N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-imine is C=C(/N=C/CC)C(F)(F)F.
What is the InChIKey of N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-imine?
The InChIKey is HONVDVWSMRLJGR-ONNFQVAWSA-N. The full InChI is InChI=1S/C6H8F3N/c1-3-4-10-5(2)6(7,8)9/h4H,2-3H2,1H3/b10-4+.
What are the key properties of N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-imine?
N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-imine has a molecular weight of 151.13 g/mol, XLogP of 2.54, 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)propan-1-imine is sourced from PubChem (CID 123498961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).