3,4,5-trifluoro-N-hex-5-en-2-ylaniline

C12H14F3N — CID 104655698

IUPAC3,4,5-trifluoro-N-hex-5-en-2-ylaniline
SMILESC=CCCC(C)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H14F3N/c1-3-4-5-8(2)16-9-6-10(13)12(15)11(14)7-9/h3,6-8,16H,1,4-5H2,2H3
InChIKeyYPBFJMCHIHLONH-UHFFFAOYSA-N
MW229.24 g/mol
LogP3.87
Rot. Bonds5

About 3,4,5-trifluoro-N-hex-5-en-2-ylaniline

3,4,5-trifluoro-N-hex-5-en-2-ylaniline (PubChem CID 104655698) has the molecular formula C12H14F3N and a molecular weight of 229.24 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-hex-5-en-2-ylaniline.

Molecular Properties

Compound Name3,4,5-trifluoro-N-hex-5-en-2-ylaniline
PubChem CID104655698
Molecular FormulaC12H14F3N
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name3,4,5-trifluoro-N-hex-5-en-2-ylaniline
SMILESC=CCCC(C)Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H14F3N/c1-3-4-5-8(2)16-9-6-10(13)12(15)11(14)7-9/h3,6-8,16H,1,4-5H2,2H3
InChIKeyYPBFJMCHIHLONH-UHFFFAOYSA-N
XLogP3.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-4-(hex-5-en-2-ylamino)phenol
CID 104655724
N-hex-5-en-2-yl-4-methylaniline
CID 75525041
3-(difluoromethyl)-N-hex-5-en-2-ylaniline
CID 104584125
4-N-hex-5-en-2-ylbenzene-1,4-diamine
CID 70292909
5-bromo-N-hex-5-en-2-ylpyridin-3-amine
CID 104583994
4-bromo-N-hex-5-en-2-yl-3-methylaniline
CID 104655310
[3-(hex-5-en-2-ylamino)phenyl]methanol
CID 104655504
2-chloro-N-hex-5-en-2-ylpyridin-4-amine
CID 104655827
4-fluoro-3-(hex-5-en-2-ylamino)benzoic acid
CID 104655546
3-(hex-5-en-2-ylamino)benzamide
CID 104584057
2-bromo-6-chloro-4-fluoro-N-hex-5-en-2-ylaniline
CID 107610038
3-[(dimethylamino)methyl]-N-hex-5-en-2-ylaniline
CID 104583862

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-hex-5-en-2-ylaniline?
The IUPAC name of 3,4,5-trifluoro-N-hex-5-en-2-ylaniline (CID 104655698) is 3,4,5-trifluoro-N-hex-5-en-2-ylaniline.
What is the SMILES notation for 3,4,5-trifluoro-N-hex-5-en-2-ylaniline?
The canonical SMILES for 3,4,5-trifluoro-N-hex-5-en-2-ylaniline is C=CCCC(C)Nc1cc(F)c(F)c(F)c1.
What is the InChIKey of 3,4,5-trifluoro-N-hex-5-en-2-ylaniline?
The InChIKey is YPBFJMCHIHLONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c1-3-4-5-8(2)16-9-6-10(13)12(15)11(14)7-9/h3,6-8,16H,1,4-5H2,2H3.
What are the key properties of 3,4,5-trifluoro-N-hex-5-en-2-ylaniline?
3,4,5-trifluoro-N-hex-5-en-2-ylaniline has a molecular weight of 229.24 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-hex-5-en-2-ylaniline is sourced from PubChem (CID 104655698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).