4-tert-butyl-5,6,7-trifluoronaphthalen-2-amine

C14H14F3N — CID 172514436

IUPAC4-tert-butyl-5,6,7-trifluoronaphthalen-2-amine
SMILESCC(C)(C)c1cc(N)cc2cc(F)c(F)c(F)c12
InChIInChI=1S/C14H14F3N/c1-14(2,3)9-6-8(18)4-7-5-10(15)12(16)13(17)11(7)9/h4-6H,18H2,1-3H3
InChIKeyUBIBQCFAEOPIFG-UHFFFAOYSA-N
MW253.27 g/mol
LogP4.14
Rot. Bonds

About 4-tert-butyl-5,6,7-trifluoronaphthalen-2-amine

4-tert-butyl-5,6,7-trifluoronaphthalen-2-amine (PubChem CID 172514436) has the molecular formula C14H14F3N and a molecular weight of 253.27 g/mol. Its IUPAC name is 4-tert-butyl-5,6,7-trifluoronaphthalen-2-amine.

Molecular Properties

Compound Name4-tert-butyl-5,6,7-trifluoronaphthalen-2-amine
PubChem CID172514436
Molecular FormulaC14H14F3N
Molecular Weight253.27 g/mol
Exact Mass253.11
IUPAC Name4-tert-butyl-5,6,7-trifluoronaphthalen-2-amine
SMILESCC(C)(C)c1cc(N)cc2cc(F)c(F)c(F)c12
InChIInChI=1S/C14H14F3N/c1-14(2,3)9-6-8(18)4-7-5-10(15)12(16)13(17)11(7)9/h4-6H,18H2,1-3H3
InChIKeyUBIBQCFAEOPIFG-UHFFFAOYSA-N
XLogP4.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-tert-butyl-6-fluoro-5-(trifluoromethylsulfanyl)naphthalen-2-amine
CID 172514368
ethane;5-ethynyl-6,7-difluoro-4-propan-2-ylnaphthalen-2-amine
CID 176951360
2-tert-butyl-5,6,7-trifluoroquinolin-4-amine
CID 62811734
6-amino-2,3-difluoro-8-propan-2-ylnaphthalene-1-carbonitrile;ethane
CID 178101398
2,6-ditert-butyl-4-fluoroaniline
CID 14460942
4-fluoro-3-methyl-5-(trifluoromethyl)aniline
CID 86277674
5-amino-2,3-ditert-butylphenol
CID 126738766
2-tert-butyl-6-fluoropyridin-4-amine
CID 155207276
2-tert-butyl-1,3,4,5-tetrafluorobenzene;ethane
CID 155699837
3-tert-butyl-5,8-difluoro-6-methylquinolin-2-amine
CID 103587512
CID 166460704
CID 166460704
4-tert-butyl-5-ethenyl-6-fluoroquinolin-2-amine
CID 176776734

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5,6,7-trifluoronaphthalen-2-amine?
The IUPAC name of 4-tert-butyl-5,6,7-trifluoronaphthalen-2-amine (CID 172514436) is 4-tert-butyl-5,6,7-trifluoronaphthalen-2-amine.
What is the SMILES notation for 4-tert-butyl-5,6,7-trifluoronaphthalen-2-amine?
The canonical SMILES for 4-tert-butyl-5,6,7-trifluoronaphthalen-2-amine is CC(C)(C)c1cc(N)cc2cc(F)c(F)c(F)c12.
What is the InChIKey of 4-tert-butyl-5,6,7-trifluoronaphthalen-2-amine?
The InChIKey is UBIBQCFAEOPIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N/c1-14(2,3)9-6-8(18)4-7-5-10(15)12(16)13(17)11(7)9/h4-6H,18H2,1-3H3.
What are the key properties of 4-tert-butyl-5,6,7-trifluoronaphthalen-2-amine?
4-tert-butyl-5,6,7-trifluoronaphthalen-2-amine has a molecular weight of 253.27 g/mol, XLogP of 4.14, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5,6,7-trifluoronaphthalen-2-amine is sourced from PubChem (CID 172514436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).