[(3S)-3-[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]oxolan-3-yl]methanol

C14H18F3NO2 — CID 99832473

IUPAC[(3S)-3-[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]oxolan-3-yl]methanol
SMILESCc1cc(C(F)(F)F)ccc1CN[C@]1(CO)CCOC1
InChIInChI=1S/C14H18F3NO2/c1-10-6-12(14(15,16)17)3-2-11(10)7-18-13(8-19)4-5-20-9-13/h2-3,6,18-19H,4-5,7-9H2,1H3/t13-/m0/s1
InChIKeyLVLLSCJKOIJSAA-ZDUSSCGKSA-N
MW289.30 g/mol
LogP2.25
Rot. Bonds4

About [(3S)-3-[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]oxolan-3-yl]methanol

[(3S)-3-[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]oxolan-3-yl]methanol (PubChem CID 99832473) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is [(3S)-3-[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-3-[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]oxolan-3-yl]methanol
PubChem CID99832473
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name[(3S)-3-[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]oxolan-3-yl]methanol
SMILESCc1cc(C(F)(F)F)ccc1CN[C@]1(CO)CCOC1
InChIInChI=1S/C14H18F3NO2/c1-10-6-12(14(15,16)17)3-2-11(10)7-18-13(8-19)4-5-20-9-13/h2-3,6,18-19H,4-5,7-9H2,1H3/t13-/m0/s1
InChIKeyLVLLSCJKOIJSAA-ZDUSSCGKSA-N
XLogP2.25
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S)-3-[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]oxolan-3-yl]methanol?
The IUPAC name of [(3S)-3-[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]oxolan-3-yl]methanol (CID 99832473) is [(3S)-3-[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]oxolan-3-yl]methanol.
What is the SMILES notation for [(3S)-3-[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]oxolan-3-yl]methanol?
The canonical SMILES for [(3S)-3-[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]oxolan-3-yl]methanol is Cc1cc(C(F)(F)F)ccc1CN[C@]1(CO)CCOC1.
What is the InChIKey of [(3S)-3-[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]oxolan-3-yl]methanol?
The InChIKey is LVLLSCJKOIJSAA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-10-6-12(14(15,16)17)3-2-11(10)7-18-13(8-19)4-5-20-9-13/h2-3,6,18-19H,4-5,7-9H2,1H3/t13-/m0/s1.
What are the key properties of [(3S)-3-[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]oxolan-3-yl]methanol?
[(3S)-3-[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]oxolan-3-yl]methanol has a molecular weight of 289.30 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-[[2-methyl-4-(trifluoromethyl)phenyl]methylamino]oxolan-3-yl]methanol is sourced from PubChem (CID 99832473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).