N-heptyl-3-(trifluoromethyl)aniline

C14H20F3N — CID 4711840

IUPACN-heptyl-3-(trifluoromethyl)aniline
SMILESCCCCCCCNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3N/c1-2-3-4-5-6-10-18-13-9-7-8-12(11-13)14(15,16)17/h7-9,11,18H,2-6,10H2,1H3
InChIKeySPZLZXMHWPKZGG-UHFFFAOYSA-N
MW259.31 g/mol
LogP5.09
Rot. Bonds7

About N-heptyl-3-(trifluoromethyl)aniline

N-heptyl-3-(trifluoromethyl)aniline (PubChem CID 4711840) has the molecular formula C14H20F3N and a molecular weight of 259.31 g/mol. Its IUPAC name is N-heptyl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-heptyl-3-(trifluoromethyl)aniline
PubChem CID4711840
Molecular FormulaC14H20F3N
Molecular Weight259.31 g/mol
Exact Mass259.15
IUPAC NameN-heptyl-3-(trifluoromethyl)aniline
SMILESCCCCCCCNc1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H20F3N/c1-2-3-4-5-6-10-18-13-9-7-8-12(11-13)14(15,16)17/h7-9,11,18H,2-6,10H2,1H3
InChIKeySPZLZXMHWPKZGG-UHFFFAOYSA-N
XLogP5.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.31
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-octyl-3-(trifluoromethyl)aniline
CID 43129188
N-butyl-N'-[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 54807366
1-N,3-N-dipentylbenzene-1,3-diamine
CID 19708209
N'-[3-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 94261042
N-hept-6-enyl-3-(trifluoromethyl)aniline
CID 107006422
N-decyl-4-(trifluoromethyl)aniline
CID 63488784
2-(heptylamino)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 54814618
magnesium;N-ethyl-3-(trifluoromethyl)aniline;bis(octadecanoate)
CID 159896907
N-octyl-4-(trifluoromethyl)pyridin-2-amine
CID 115568897
3-[3-(trifluoromethyl)anilino]propane-1-sulfonic acid
CID 134094897
3-N-octadecylbenzene-1,3-diamine
CID 154090035
3-bromo-N-octylaniline
CID 43129310

Frequently Asked Questions

What is the IUPAC name of N-heptyl-3-(trifluoromethyl)aniline?
The IUPAC name of N-heptyl-3-(trifluoromethyl)aniline (CID 4711840) is N-heptyl-3-(trifluoromethyl)aniline.
What is the SMILES notation for N-heptyl-3-(trifluoromethyl)aniline?
The canonical SMILES for N-heptyl-3-(trifluoromethyl)aniline is CCCCCCCNc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-heptyl-3-(trifluoromethyl)aniline?
The InChIKey is SPZLZXMHWPKZGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N/c1-2-3-4-5-6-10-18-13-9-7-8-12(11-13)14(15,16)17/h7-9,11,18H,2-6,10H2,1H3.
What are the key properties of N-heptyl-3-(trifluoromethyl)aniline?
N-heptyl-3-(trifluoromethyl)aniline has a molecular weight of 259.31 g/mol, XLogP of 5.09, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 4711840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).