1-(1,3-benzoxazol-6-yl)-2,2,2-trifluoro-N,N-dimethylethanamine

C11H11F3N2O — CID 116914373

IUPAC1-(1,3-benzoxazol-6-yl)-2,2,2-trifluoro-N,N-dimethylethanamine
SMILESCN(C)C(c1ccc2ncoc2c1)C(F)(F)F
InChIInChI=1S/C11H11F3N2O/c1-16(2)10(11(12,13)14)7-3-4-8-9(5-7)17-6-15-8/h3-6,10H,1-2H3
InChIKeyUKIWSIFIDODUSD-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.99
Rot. Bonds2

About 1-(1,3-benzoxazol-6-yl)-2,2,2-trifluoro-N,N-dimethylethanamine

1-(1,3-benzoxazol-6-yl)-2,2,2-trifluoro-N,N-dimethylethanamine (PubChem CID 116914373) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-6-yl)-2,2,2-trifluoro-N,N-dimethylethanamine.

Molecular Properties

Compound Name1-(1,3-benzoxazol-6-yl)-2,2,2-trifluoro-N,N-dimethylethanamine
PubChem CID116914373
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name1-(1,3-benzoxazol-6-yl)-2,2,2-trifluoro-N,N-dimethylethanamine
SMILESCN(C)C(c1ccc2ncoc2c1)C(F)(F)F
InChIInChI=1S/C11H11F3N2O/c1-16(2)10(11(12,13)14)7-3-4-8-9(5-7)17-6-15-8/h3-6,10H,1-2H3
InChIKeyUKIWSIFIDODUSD-UHFFFAOYSA-N
XLogP2.99
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1,3-benzoxazol-6-yl)-3-(dimethylamino)-2,2-dimethylpropanoic acid
CID 116907995
1-(1,3-benzoxazol-6-yl)-1-chloro-N,N-dimethylmethanamine
CID 116915255
6-propan-2-yl-1,3-benzoxazole
CID 21354846
2,2,2-trifluoro-N,N-dimethyl-1-(2-methyl-1,3-benzoxazol-5-yl)ethanamine
CID 116914379
3-(1,3-benzoxazol-6-yl)-3-(dimethylamino)propan-1-ol
CID 116907694
1-(1,3-benzoxazol-6-yl)-N,N-dimethylbutane-1,4-diamine
CID 116905174
1,3-benzoxazol-6-yl(methylamino)methanethiol
CID 116954549
6-(1,1-difluoro-2-methylpropyl)-1,3-benzoxazole
CID 116841453
2-(1,3-benzoxazol-6-yl)propan-1-ol
CID 117277502
2-(1,3-benzoxazol-6-yl)propanenitrile
CID 21437237
1-amino-1-(1,3-benzoxazol-6-yl)propan-2-one
CID 116859715
1-(4-bromophenyl)-2,2,2-trifluoro-N,N-dimethylethanamine
CID 116914319

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-6-yl)-2,2,2-trifluoro-N,N-dimethylethanamine?
The IUPAC name of 1-(1,3-benzoxazol-6-yl)-2,2,2-trifluoro-N,N-dimethylethanamine (CID 116914373) is 1-(1,3-benzoxazol-6-yl)-2,2,2-trifluoro-N,N-dimethylethanamine.
What is the SMILES notation for 1-(1,3-benzoxazol-6-yl)-2,2,2-trifluoro-N,N-dimethylethanamine?
The canonical SMILES for 1-(1,3-benzoxazol-6-yl)-2,2,2-trifluoro-N,N-dimethylethanamine is CN(C)C(c1ccc2ncoc2c1)C(F)(F)F.
What is the InChIKey of 1-(1,3-benzoxazol-6-yl)-2,2,2-trifluoro-N,N-dimethylethanamine?
The InChIKey is UKIWSIFIDODUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-16(2)10(11(12,13)14)7-3-4-8-9(5-7)17-6-15-8/h3-6,10H,1-2H3.
What are the key properties of 1-(1,3-benzoxazol-6-yl)-2,2,2-trifluoro-N,N-dimethylethanamine?
1-(1,3-benzoxazol-6-yl)-2,2,2-trifluoro-N,N-dimethylethanamine has a molecular weight of 244.22 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-6-yl)-2,2,2-trifluoro-N,N-dimethylethanamine is sourced from PubChem (CID 116914373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).