1-[3-(trifluoromethyl)phenyl]hept-4-en-1-amine

C14H18F3N — CID 174057560

IUPAC1-[3-(trifluoromethyl)phenyl]hept-4-en-1-amine
SMILESCCC=CCCC(N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3N/c1-2-3-4-5-9-13(18)11-7-6-8-12(10-11)14(15,16)17/h3-4,6-8,10,13H,2,5,9,18H2,1H3
InChIKeyOWUCHPXBQJRQTL-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.45
Rot. Bonds5

About 1-[3-(trifluoromethyl)phenyl]hept-4-en-1-amine

1-[3-(trifluoromethyl)phenyl]hept-4-en-1-amine (PubChem CID 174057560) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]hept-4-en-1-amine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]hept-4-en-1-amine
PubChem CID174057560
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name1-[3-(trifluoromethyl)phenyl]hept-4-en-1-amine
SMILESCCC=CCCC(N)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H18F3N/c1-2-3-4-5-9-13(18)11-7-6-8-12(10-11)14(15,16)17/h3-4,6-8,10,13H,2,5,9,18H2,1H3
InChIKeyOWUCHPXBQJRQTL-UHFFFAOYSA-N
XLogP4.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-[3-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
CID 171226375
(1R)-1-[3-(trifluoromethyl)phenyl]hexan-1-amine;hydrochloride
CID 171206800
(4S)-4-amino-4-[3-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171226401
3-(4-methylphenyl)-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 105141503
2-propan-2-ylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 64634045
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
2-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]ethanamine;hydrochloride
CID 166520305
N'-methyl-N'-(2-methylpropyl)-1-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54938195
(1R)-3-methyl-1-[3-(trifluoromethyl)phenyl]but-3-en-1-amine
CID 171206817
(1R)-2-methyl-1-[3-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 170986461
2-phenyl-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 43825128
2-methyl-4-[3-(trifluoromethyl)phenyl]pentan-3-amine
CID 79298392

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]hept-4-en-1-amine?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]hept-4-en-1-amine (CID 174057560) is 1-[3-(trifluoromethyl)phenyl]hept-4-en-1-amine.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]hept-4-en-1-amine?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]hept-4-en-1-amine is CCC=CCCC(N)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]hept-4-en-1-amine?
The InChIKey is OWUCHPXBQJRQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-2-3-4-5-9-13(18)11-7-6-8-12(10-11)14(15,16)17/h3-4,6-8,10,13H,2,5,9,18H2,1H3.
What are the key properties of 1-[3-(trifluoromethyl)phenyl]hept-4-en-1-amine?
1-[3-(trifluoromethyl)phenyl]hept-4-en-1-amine has a molecular weight of 257.30 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]hept-4-en-1-amine is sourced from PubChem (CID 174057560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).