3-(difluoromethyl)-N-hex-5-en-2-ylaniline

C13H17F2N — CID 104584125

IUPAC3-(difluoromethyl)-N-hex-5-en-2-ylaniline
SMILESC=CCCC(C)Nc1cccc(C(F)F)c1
InChIInChI=1S/C13H17F2N/c1-3-4-6-10(2)16-12-8-5-7-11(9-12)13(14)15/h3,5,7-10,13,16H,1,4,6H2,2H3
InChIKeyUFPIUIUBLGDAPI-UHFFFAOYSA-N
MW225.28 g/mol
LogP4.39
Rot. Bonds6

About 3-(difluoromethyl)-N-hex-5-en-2-ylaniline

3-(difluoromethyl)-N-hex-5-en-2-ylaniline (PubChem CID 104584125) has the molecular formula C13H17F2N and a molecular weight of 225.28 g/mol. Its IUPAC name is 3-(difluoromethyl)-N-hex-5-en-2-ylaniline.

Molecular Properties

Compound Name3-(difluoromethyl)-N-hex-5-en-2-ylaniline
PubChem CID104584125
Molecular FormulaC13H17F2N
Molecular Weight225.28 g/mol
Exact Mass225.13
IUPAC Name3-(difluoromethyl)-N-hex-5-en-2-ylaniline
SMILESC=CCCC(C)Nc1cccc(C(F)F)c1
InChIInChI=1S/C13H17F2N/c1-3-4-6-10(2)16-12-8-5-7-11(9-12)13(14)15/h3,5,7-10,13,16H,1,4,6H2,2H3
InChIKeyUFPIUIUBLGDAPI-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.28
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(difluoromethyl)-N-hex-5-en-2-ylaniline 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

[3-(hex-5-en-2-ylamino)phenyl]methanol
CID 104655504
3-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline
CID 104583862
3-(hex-5-en-2-ylamino)benzamide
CID 104584057
N-[3-(hex-5-en-2-ylamino)phenyl]propanamide
CID 104583829
2-fluoro-4-(hex-5-en-2-ylamino)phenol
CID 104655724
3,4,5-trifluoro-N-hex-5-en-2-ylaniline
CID 104655698
N-[3-(hex-5-en-2-ylamino)phenyl]cyclopropanecarboxamide
CID 104583828
N-hex-5-en-2-yl-4-methylaniline
CID 75525041
4-bromo-N-hex-5-en-2-yl-3-methylaniline
CID 104655310
3-chloro-N-hex-5-en-2-yl-4-methoxyaniline
CID 104583800
4-N-hex-5-en-2-ylbenzene-1,4-diamine
CID 70292909
N-[2-chloro-4-(hex-5-en-2-ylamino)phenyl]methanesulfonamide
CID 86790165

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-N-hex-5-en-2-ylaniline?
The IUPAC name of 3-(difluoromethyl)-N-hex-5-en-2-ylaniline (CID 104584125) is 3-(difluoromethyl)-N-hex-5-en-2-ylaniline.
What is the SMILES notation for 3-(difluoromethyl)-N-hex-5-en-2-ylaniline?
The canonical SMILES for 3-(difluoromethyl)-N-hex-5-en-2-ylaniline is C=CCCC(C)Nc1cccc(C(F)F)c1.
What is the InChIKey of 3-(difluoromethyl)-N-hex-5-en-2-ylaniline?
The InChIKey is UFPIUIUBLGDAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N/c1-3-4-6-10(2)16-12-8-5-7-11(9-12)13(14)15/h3,5,7-10,13,16H,1,4,6H2,2H3.
What are the key properties of 3-(difluoromethyl)-N-hex-5-en-2-ylaniline?
3-(difluoromethyl)-N-hex-5-en-2-ylaniline has a molecular weight of 225.28 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-N-hex-5-en-2-ylaniline is sourced from PubChem (CID 104584125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).