1-[3-(trifluoromethyl)-1,2-benzoxazol-7-yl]ethanamine

C10H9F3N2O — CID 105487507

IUPAC1-[3-(trifluoromethyl)-1,2-benzoxazol-7-yl]ethanamine
SMILESCC(N)c1cccc2c(C(F)(F)F)noc12
InChIInChI=1S/C10H9F3N2O/c1-5(14)6-3-2-4-7-8(6)16-15-9(7)10(11,12)13/h2-5H,14H2,1H3
InChIKeyDUHVXPUFWIWMOO-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.87
Rot. Bonds1

About 1-[3-(trifluoromethyl)-1,2-benzoxazol-7-yl]ethanamine

1-[3-(trifluoromethyl)-1,2-benzoxazol-7-yl]ethanamine (PubChem CID 105487507) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)-1,2-benzoxazol-7-yl]ethanamine.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)-1,2-benzoxazol-7-yl]ethanamine
PubChem CID105487507
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name1-[3-(trifluoromethyl)-1,2-benzoxazol-7-yl]ethanamine
SMILESCC(N)c1cccc2c(C(F)(F)F)noc12
InChIInChI=1S/C10H9F3N2O/c1-5(14)6-3-2-4-7-8(6)16-15-9(7)10(11,12)13/h2-5H,14H2,1H3
InChIKeyDUHVXPUFWIWMOO-UHFFFAOYSA-N
XLogP2.87
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(trifluoromethyl)-3-pyridinyl]ethanamine
CID 55272660
1-(3-fluoro-1-benzofuran-7-yl)ethanamine;hydrochloride
CID 170311753
6-propan-2-yloxy-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole
CID 166044899
1-(2-propan-2-yl-1,3-benzoxazol-7-yl)ethanamine
CID 170958710
1-[2-chloro-3-(trifluoromethyl)phenyl]ethanamine
CID 78001930
1-[2-methyl-8-(trifluoromethyl)quinolin-4-yl]ethanamine
CID 82575830
ethane;6-methyl-7-propyl-3-(trifluoromethyl)-1,2-benzoxazole
CID 142917151
1-[2-(1,2-benzoxazol-3-yl)phenyl]ethanamine
CID 15550302
1-[2-[4-(trifluoromethyl)phenyl]phenyl]ethanamine
CID 54911995
5-[(1R)-1-aminoethyl]naphthalen-1-ol
CID 131150444
(1R)-1-quinolin-5-ylethanamine
CID 55277010
deuterium monohydride;(1R)-1-naphthalen-1-ylethanamine
CID 158157747

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)-1,2-benzoxazol-7-yl]ethanamine?
The IUPAC name of 1-[3-(trifluoromethyl)-1,2-benzoxazol-7-yl]ethanamine (CID 105487507) is 1-[3-(trifluoromethyl)-1,2-benzoxazol-7-yl]ethanamine.
What is the SMILES notation for 1-[3-(trifluoromethyl)-1,2-benzoxazol-7-yl]ethanamine?
The canonical SMILES for 1-[3-(trifluoromethyl)-1,2-benzoxazol-7-yl]ethanamine is CC(N)c1cccc2c(C(F)(F)F)noc12.
What is the InChIKey of 1-[3-(trifluoromethyl)-1,2-benzoxazol-7-yl]ethanamine?
The InChIKey is DUHVXPUFWIWMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c1-5(14)6-3-2-4-7-8(6)16-15-9(7)10(11,12)13/h2-5H,14H2,1H3.
What are the key properties of 1-[3-(trifluoromethyl)-1,2-benzoxazol-7-yl]ethanamine?
1-[3-(trifluoromethyl)-1,2-benzoxazol-7-yl]ethanamine has a molecular weight of 230.19 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)-1,2-benzoxazol-7-yl]ethanamine is sourced from PubChem (CID 105487507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).