3-chloro-N-hept-6-enyl-5-(trifluoromethyl)aniline

C14H17ClF3N — CID 107007177

IUPAC3-chloro-N-hept-6-enyl-5-(trifluoromethyl)aniline
SMILESC=CCCCCCNc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C14H17ClF3N/c1-2-3-4-5-6-7-19-13-9-11(14(16,17)18)8-12(15)10-13/h2,8-10,19H,1,3-7H2
InChIKeyIEPXMORQHWSZND-UHFFFAOYSA-N
MW291.74 g/mol
LogP5.52
Rot. Bonds7

About 3-chloro-N-hept-6-enyl-5-(trifluoromethyl)aniline

3-chloro-N-hept-6-enyl-5-(trifluoromethyl)aniline (PubChem CID 107007177) has the molecular formula C14H17ClF3N and a molecular weight of 291.74 g/mol. Its IUPAC name is 3-chloro-N-hept-6-enyl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-chloro-N-hept-6-enyl-5-(trifluoromethyl)aniline
PubChem CID107007177
Molecular FormulaC14H17ClF3N
Molecular Weight291.74 g/mol
Exact Mass291.10
IUPAC Name3-chloro-N-hept-6-enyl-5-(trifluoromethyl)aniline
SMILESC=CCCCCCNc1cc(Cl)cc(C(F)(F)F)c1
InChIInChI=1S/C14H17ClF3N/c1-2-3-4-5-6-7-19-13-9-11(14(16,17)18)8-12(15)10-13/h2,8-10,19H,1,3-7H2
InChIKeyIEPXMORQHWSZND-UHFFFAOYSA-N
XLogP5.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.74
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-nonyl-5-(trifluoromethyl)aniline
CID 116699553
N-hept-6-enyl-3-(trifluoromethyl)aniline
CID 107006422
N-hept-6-enyl-4-(trifluoromethyl)aniline
CID 107006448
4-[3-chloro-5-(trifluoromethyl)anilino]butanenitrile
CID 116699505
3-chloro-N-(2,2-dimethylpropyl)-5-(trifluoromethyl)aniline
CID 116699062
N,N'-bis[3,5-bis(trifluoromethyl)phenyl]propane-1,3-diamine
CID 18328560
N-but-3-ynyl-3-chloro-5-(trifluoromethyl)aniline
CID 116699368
2-[3-chloro-5-(trifluoromethyl)anilino]acetonitrile
CID 116699571
4-[3-chloro-5-(trifluoromethyl)anilino]butan-2-ol
CID 116699478
3-chloro-N-[2-(3-methoxypropoxy)ethyl]-5-(trifluoromethyl)aniline
CID 103179547
N-oct-7-enylaniline
CID 101291024
2-[3-chloro-5-(trifluoromethyl)anilino]-N-(3-methylbutan-2-yl)acetamide
CID 116699479

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-hept-6-enyl-5-(trifluoromethyl)aniline?
The IUPAC name of 3-chloro-N-hept-6-enyl-5-(trifluoromethyl)aniline (CID 107007177) is 3-chloro-N-hept-6-enyl-5-(trifluoromethyl)aniline.
What is the SMILES notation for 3-chloro-N-hept-6-enyl-5-(trifluoromethyl)aniline?
The canonical SMILES for 3-chloro-N-hept-6-enyl-5-(trifluoromethyl)aniline is C=CCCCCCNc1cc(Cl)cc(C(F)(F)F)c1.
What is the InChIKey of 3-chloro-N-hept-6-enyl-5-(trifluoromethyl)aniline?
The InChIKey is IEPXMORQHWSZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClF3N/c1-2-3-4-5-6-7-19-13-9-11(14(16,17)18)8-12(15)10-13/h2,8-10,19H,1,3-7H2.
What are the key properties of 3-chloro-N-hept-6-enyl-5-(trifluoromethyl)aniline?
3-chloro-N-hept-6-enyl-5-(trifluoromethyl)aniline has a molecular weight of 291.74 g/mol, XLogP of 5.52, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-hept-6-enyl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 107007177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).