N-hept-6-enyl-4-(trifluoromethyl)aniline

C14H18F3N — CID 107006448

IUPACN-hept-6-enyl-4-(trifluoromethyl)aniline
SMILESC=CCCCCCNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3N/c1-2-3-4-5-6-11-18-13-9-7-12(8-10-13)14(15,16)17/h2,7-10,18H,1,3-6,11H2
InChIKeyGNNIKGNTWJLIKA-UHFFFAOYSA-N
MW257.30 g/mol
LogP4.86
Rot. Bonds7

About N-hept-6-enyl-4-(trifluoromethyl)aniline

N-hept-6-enyl-4-(trifluoromethyl)aniline (PubChem CID 107006448) has the molecular formula C14H18F3N and a molecular weight of 257.30 g/mol. Its IUPAC name is N-hept-6-enyl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-hept-6-enyl-4-(trifluoromethyl)aniline
PubChem CID107006448
Molecular FormulaC14H18F3N
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC NameN-hept-6-enyl-4-(trifluoromethyl)aniline
SMILESC=CCCCCCNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H18F3N/c1-2-3-4-5-6-11-18-13-9-7-12(8-10-13)14(15,16)17/h2,7-10,18H,1,3-6,11H2
InChIKeyGNNIKGNTWJLIKA-UHFFFAOYSA-N
XLogP4.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 54.86
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

N-hept-6-enyl-3-(trifluoromethyl)aniline
CID 107006422
N-oct-7-enylaniline
CID 101291024
N-decyl-4-(trifluoromethyl)aniline
CID 63488784
3-chloro-N-hept-6-enyl-5-(trifluoromethyl)aniline
CID 107007177
N-(4-chlorobutyl)-4-(trifluoromethyl)aniline
CID 46941334
1-(non-8-enoxymethyl)-4-(trifluoromethyl)benzene
CID 155664426
4-[4-(trifluoromethyl)anilino]butanenitrile
CID 28575681
N',N'-dimethyl-N-[4-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 62648258
N-hept-6-enyl-3,4-dimethoxyaniline
CID 107006447
4-ethyl-N-hept-6-enyl-3-methylaniline
CID 114250202
1-oct-7-en-2-yl-4-(trifluoromethyl)benzene
CID 134981740
3,4-diethoxy-N-hept-6-enylaniline
CID 107006456

Frequently Asked Questions

What is the IUPAC name of N-hept-6-enyl-4-(trifluoromethyl)aniline?
The IUPAC name of N-hept-6-enyl-4-(trifluoromethyl)aniline (CID 107006448) is N-hept-6-enyl-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-hept-6-enyl-4-(trifluoromethyl)aniline?
The canonical SMILES for N-hept-6-enyl-4-(trifluoromethyl)aniline is C=CCCCCCNc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-hept-6-enyl-4-(trifluoromethyl)aniline?
The InChIKey is GNNIKGNTWJLIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N/c1-2-3-4-5-6-11-18-13-9-7-12(8-10-13)14(15,16)17/h2,7-10,18H,1,3-6,11H2.
What are the key properties of N-hept-6-enyl-4-(trifluoromethyl)aniline?
N-hept-6-enyl-4-(trifluoromethyl)aniline has a molecular weight of 257.30 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hept-6-enyl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 107006448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).