N-(2-fluoropropyl)propan-1-imine

C6H12FN — CID 123658402

IUPACN-(2-fluoropropyl)propan-1-imine
SMILESCC/C=N/CC(C)F
InChIInChI=1S/C6H12FN/c1-3-4-8-5-6(2)7/h4,6H,3,5H2,1-2H3/b8-4+
InChIKeyIDIPXTZIMFVPTB-XBXARRHUSA-N
MW117.17 g/mol
LogP1.83
Rot. Bonds3

About N-(2-fluoropropyl)propan-1-imine

N-(2-fluoropropyl)propan-1-imine (PubChem CID 123658402) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is N-(2-fluoropropyl)propan-1-imine.

Molecular Properties

Compound NameN-(2-fluoropropyl)propan-1-imine
PubChem CID123658402
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC NameN-(2-fluoropropyl)propan-1-imine
SMILESCC/C=N/CC(C)F
InChIInChI=1S/C6H12FN/c1-3-4-8-5-6(2)7/h4,6H,3,5H2,1-2H3/b8-4+
InChIKeyIDIPXTZIMFVPTB-XBXARRHUSA-N
XLogP1.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-fluoropropyl)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

Ethanamine, N-butylidene-
CID 137111
4-Aza-3-heptene
CID 139063
Propylamine, N-ethylidene-
CID 89354
N-Propylideneethanamine
CID 140370
Ethanamine, N-pentylidene-
CID 544805
n-Butyraldehyd-n-propylimin
CID 10866301
(1E)-N-Methylpropan-1-imine
CID 12355454
N-propylidenebutylamine
CID 12510988
(1E)-N-(2,2,2-Trifluoroethyl)propan-1-imine
CID 12769777
(1E)-N-(2,2,2-Trifluoroethyl)butan-1-imine
CID 12769778
N-ethyl-3,3,3-trifluoropropan-1-imine
CID 14066877
2-methyl-N-(2,2,2-trifluoroethyl)propan-1-imine
CID 88736535

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoropropyl)propan-1-imine?
The IUPAC name of N-(2-fluoropropyl)propan-1-imine (CID 123658402) is N-(2-fluoropropyl)propan-1-imine.
What is the SMILES notation for N-(2-fluoropropyl)propan-1-imine?
The canonical SMILES for N-(2-fluoropropyl)propan-1-imine is CC/C=N/CC(C)F.
What is the InChIKey of N-(2-fluoropropyl)propan-1-imine?
The InChIKey is IDIPXTZIMFVPTB-XBXARRHUSA-N. The full InChI is InChI=1S/C6H12FN/c1-3-4-8-5-6(2)7/h4,6H,3,5H2,1-2H3/b8-4+.
What are the key properties of N-(2-fluoropropyl)propan-1-imine?
N-(2-fluoropropyl)propan-1-imine has a molecular weight of 117.17 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoropropyl)propan-1-imine is sourced from PubChem (CID 123658402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).