[3-(aminomethyl)oxolan-3-yl]-[4-(trifluoromethyl)phenyl]methanol

C13H16F3NO2 — CID 79135823

IUPAC[3-(aminomethyl)oxolan-3-yl]-[4-(trifluoromethyl)phenyl]methanol
SMILESNCC1(C(O)c2ccc(C(F)(F)F)cc2)CCOC1
InChIInChI=1S/C13H16F3NO2/c14-13(15,16)10-3-1-9(2-4-10)11(18)12(7-17)5-6-19-8-12/h1-4,11,18H,5-8,17H2
InChIKeyMJMBLERZLNWOPI-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.10
Rot. Bonds3

About [3-(aminomethyl)oxolan-3-yl]-[4-(trifluoromethyl)phenyl]methanol

[3-(aminomethyl)oxolan-3-yl]-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 79135823) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is [3-(aminomethyl)oxolan-3-yl]-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[3-(aminomethyl)oxolan-3-yl]-[4-(trifluoromethyl)phenyl]methanol
PubChem CID79135823
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC Name[3-(aminomethyl)oxolan-3-yl]-[4-(trifluoromethyl)phenyl]methanol
SMILESNCC1(C(O)c2ccc(C(F)(F)F)cc2)CCOC1
InChIInChI=1S/C13H16F3NO2/c14-13(15,16)10-3-1-9(2-4-10)11(18)12(7-17)5-6-19-8-12/h1-4,11,18H,5-8,17H2
InChIKeyMJMBLERZLNWOPI-UHFFFAOYSA-N
XLogP2.10
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)oxolan-3-yl]-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [3-(aminomethyl)oxolan-3-yl]-[4-(trifluoromethyl)phenyl]methanol (CID 79135823) is [3-(aminomethyl)oxolan-3-yl]-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [3-(aminomethyl)oxolan-3-yl]-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [3-(aminomethyl)oxolan-3-yl]-[4-(trifluoromethyl)phenyl]methanol is NCC1(C(O)c2ccc(C(F)(F)F)cc2)CCOC1.
What is the InChIKey of [3-(aminomethyl)oxolan-3-yl]-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is MJMBLERZLNWOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c14-13(15,16)10-3-1-9(2-4-10)11(18)12(7-17)5-6-19-8-12/h1-4,11,18H,5-8,17H2.
What are the key properties of [3-(aminomethyl)oxolan-3-yl]-[4-(trifluoromethyl)phenyl]methanol?
[3-(aminomethyl)oxolan-3-yl]-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 275.27 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)oxolan-3-yl]-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 79135823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).