N-heptyl-4-(trifluoromethoxy)aniline

C14H20F3NO — CID 43129251

IUPACN-heptyl-4-(trifluoromethoxy)aniline
SMILESCCCCCCCNc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-2-3-4-5-6-11-18-12-7-9-13(10-8-12)19-14(15,16)17/h7-10,18H,2-6,11H2,1H3
InChIKeyPNHVGDZBIZCQLI-UHFFFAOYSA-N
MW275.31 g/mol
LogP4.97
Rot. Bonds8

About N-heptyl-4-(trifluoromethoxy)aniline

N-heptyl-4-(trifluoromethoxy)aniline (PubChem CID 43129251) has the molecular formula C14H20F3NO and a molecular weight of 275.31 g/mol. Its IUPAC name is N-heptyl-4-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-heptyl-4-(trifluoromethoxy)aniline
PubChem CID43129251
Molecular FormulaC14H20F3NO
Molecular Weight275.31 g/mol
Exact Mass275.15
IUPAC NameN-heptyl-4-(trifluoromethoxy)aniline
SMILESCCCCCCCNc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H20F3NO/c1-2-3-4-5-6-11-18-12-7-9-13(10-8-12)19-14(15,16)17/h7-10,18H,2-6,11H2,1H3
InChIKeyPNHVGDZBIZCQLI-UHFFFAOYSA-N
XLogP4.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxypropyl)-4-(trifluoromethoxy)aniline
CID 54935363
N-(4-methylpentyl)-4-(trifluoromethoxy)aniline
CID 83157081
N-decyl-4-(trifluoromethyl)aniline
CID 63488784
ethyl 2-[4-(heptylamino)phenoxy]-2-methylpropanoate
CID 59036087
N-hexyl-4-phenoxyaniline
CID 28876890
N-heptyl-4-phenoxyaniline
CID 43129191
N'-tert-butyl-N-[4-(trifluoromethoxy)phenyl]ethane-1,2-diamine
CID 107444522
N-pent-4-ynyl-4-(trifluoromethoxy)aniline
CID 113343827
N-(2,2-dimethylpropyl)-4-(trifluoromethoxy)aniline
CID 20786173
4-methyl-N-octylaniline
CID 11816856
4-fluoro-N-heptylaniline
CID 43129312
N-hexyl-4-(2-phenoxyethoxy)aniline
CID 54799916

Frequently Asked Questions

What is the IUPAC name of N-heptyl-4-(trifluoromethoxy)aniline?
The IUPAC name of N-heptyl-4-(trifluoromethoxy)aniline (CID 43129251) is N-heptyl-4-(trifluoromethoxy)aniline.
What is the SMILES notation for N-heptyl-4-(trifluoromethoxy)aniline?
The canonical SMILES for N-heptyl-4-(trifluoromethoxy)aniline is CCCCCCCNc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-heptyl-4-(trifluoromethoxy)aniline?
The InChIKey is PNHVGDZBIZCQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO/c1-2-3-4-5-6-11-18-12-7-9-13(10-8-12)19-14(15,16)17/h7-10,18H,2-6,11H2,1H3.
What are the key properties of N-heptyl-4-(trifluoromethoxy)aniline?
N-heptyl-4-(trifluoromethoxy)aniline has a molecular weight of 275.31 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-4-(trifluoromethoxy)aniline is sourced from PubChem (CID 43129251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).