4-(3,3,3-trifluoropropoxy)naphthalen-1-amine

C13H12F3NO — CID 64552253

IUPAC4-(3,3,3-trifluoropropoxy)naphthalen-1-amine
SMILESNc1ccc(OCCC(F)(F)F)c2ccccc12
InChIInChI=1S/C13H12F3NO/c14-13(15,16)7-8-18-12-6-5-11(17)9-3-1-2-4-10(9)12/h1-6H,7-8,17H2
InChIKeyZDOXHOPRRIBFCC-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.75
Rot. Bonds3

About 4-(3,3,3-trifluoropropoxy)naphthalen-1-amine

4-(3,3,3-trifluoropropoxy)naphthalen-1-amine (PubChem CID 64552253) has the molecular formula C13H12F3NO and a molecular weight of 255.24 g/mol. Its IUPAC name is 4-(3,3,3-trifluoropropoxy)naphthalen-1-amine.

Molecular Properties

Compound Name4-(3,3,3-trifluoropropoxy)naphthalen-1-amine
PubChem CID64552253
Molecular FormulaC13H12F3NO
Molecular Weight255.24 g/mol
Exact Mass255.09
IUPAC Name4-(3,3,3-trifluoropropoxy)naphthalen-1-amine
SMILESNc1ccc(OCCC(F)(F)F)c2ccccc12
InChIInChI=1S/C13H12F3NO/c14-13(15,16)7-8-18-12-6-5-11(17)9-3-1-2-4-10(9)12/h1-6H,7-8,17H2
InChIKeyZDOXHOPRRIBFCC-UHFFFAOYSA-N
XLogP3.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3-fluoropropoxy)naphthalen-1-amine
CID 81106275
4-(3,3,3-trifluoropropoxy)naphthalene-1-sulfonamide
CID 64566322
4-(4-aminonaphthalen-1-yl)oxy-2,2-dimethylbutanenitrile
CID 65250280
6-(4-aminonaphthalen-1-yl)oxyhexan-1-ol
CID 107702017
3-bromo-2-(3,3,3-trifluoropropoxy)aniline
CID 81499266
8-(4,4,4-trifluorobutoxy)isoquinolin-5-amine
CID 103140102
3-(4-aminonaphthalen-1-yl)oxy-N,N-dimethylpropanamide
CID 63691333
4-[2-(diethylamino)ethoxy]naphthalen-1-amine
CID 55228090
5-chloro-2-(3,3,3-trifluoropropoxy)aniline
CID 62056679
4-[2-(3-methoxypropoxy)ethoxy]naphthalen-1-amine
CID 103177326
4-[2-(3-methylbutoxy)ethoxy]naphthalen-1-amine
CID 63691515
4-(4,4,4-trifluorobutoxy)quinolin-8-amine
CID 83060485

Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoropropoxy)naphthalen-1-amine?
The IUPAC name of 4-(3,3,3-trifluoropropoxy)naphthalen-1-amine (CID 64552253) is 4-(3,3,3-trifluoropropoxy)naphthalen-1-amine.
What is the SMILES notation for 4-(3,3,3-trifluoropropoxy)naphthalen-1-amine?
The canonical SMILES for 4-(3,3,3-trifluoropropoxy)naphthalen-1-amine is Nc1ccc(OCCC(F)(F)F)c2ccccc12.
What is the InChIKey of 4-(3,3,3-trifluoropropoxy)naphthalen-1-amine?
The InChIKey is ZDOXHOPRRIBFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO/c14-13(15,16)7-8-18-12-6-5-11(17)9-3-1-2-4-10(9)12/h1-6H,7-8,17H2.
What are the key properties of 4-(3,3,3-trifluoropropoxy)naphthalen-1-amine?
4-(3,3,3-trifluoropropoxy)naphthalen-1-amine has a molecular weight of 255.24 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoropropoxy)naphthalen-1-amine is sourced from PubChem (CID 64552253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).