7-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine

C15H8F6N2O — CID 44626307

IUPAC7-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine
SMILESFC(F)(F)c1ccc(Nc2noc3c(C(F)(F)F)cccc23)cc1
InChIInChI=1S/C15H8F6N2O/c16-14(17,18)8-4-6-9(7-5-8)22-13-10-2-1-3-11(15(19,20)21)12(10)24-23-13/h1-7H,(H,22,23)
InChIKeyRPRBCFLRKRZGKQ-UHFFFAOYSA-N
MW346.23 g/mol
LogP5.61
Rot. Bonds2

About 7-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine

7-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine (PubChem CID 44626307) has the molecular formula C15H8F6N2O and a molecular weight of 346.23 g/mol. Its IUPAC name is 7-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine.

Molecular Properties

Compound Name7-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine
PubChem CID44626307
Molecular FormulaC15H8F6N2O
Molecular Weight346.23 g/mol
Exact Mass346.05
IUPAC Name7-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine
SMILESFC(F)(F)c1ccc(Nc2noc3c(C(F)(F)F)cccc23)cc1
InChIInChI=1S/C15H8F6N2O/c16-14(17,18)8-4-6-9(7-5-8)22-13-10-2-1-3-11(15(19,20)21)12(10)24-23-13/h1-7H,(H,22,23)
InChIKeyRPRBCFLRKRZGKQ-UHFFFAOYSA-N
XLogP5.61
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.23
LogP ≤ 55.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-(1H-indol-5-yl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine
CID 45484856
7-iodo-6-methyl-N-[3-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine
CID 146484443
2-chloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 22692746
6-fluoro-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 61229555
ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 144664157
6-hydrazinyl-N-[4-(trifluoromethyl)phenyl]pyridin-2-amine
CID 80920368
2-N,4-N,6-N-tris[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
CID 154659659
N-(2-methylphenyl)-6-(trifluoromethyl)dibenzofuran-4-amine
CID 163666091
7-fluoro-N-[3-(1,1,2,2-tetrafluoropropoxy)phenyl]-1,2-benzoxazol-3-amine
CID 89459643
N-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-b]pyridin-3-amine
CID 53375004
6-N-cyclopentyl-5-N-[4-(trifluoromethyl)phenyl]-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 169155498
N-[4-(trifluoromethyl)phenyl]naphtho[2,1-b][1]benzofuran-8-amine
CID 126550573

Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine?
The IUPAC name of 7-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine (CID 44626307) is 7-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine.
What is the SMILES notation for 7-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine?
The canonical SMILES for 7-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine is FC(F)(F)c1ccc(Nc2noc3c(C(F)(F)F)cccc23)cc1.
What is the InChIKey of 7-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine?
The InChIKey is RPRBCFLRKRZGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F6N2O/c16-14(17,18)8-4-6-9(7-5-8)22-13-10-2-1-3-11(15(19,20)21)12(10)24-23-13/h1-7H,(H,22,23).
What are the key properties of 7-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine?
7-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine has a molecular weight of 346.23 g/mol, XLogP of 5.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]-1,2-benzoxazol-3-amine is sourced from PubChem (CID 44626307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).