3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propan-1-ol

C14H18F3NO2 — CID 75519693

IUPAC3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propan-1-ol
SMILESOCCCN1CCOC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)12-4-2-11(3-5-12)13-10-18(6-1-8-19)7-9-20-13/h2-5,13,19H,1,6-10H2
InChIKeyOFNUZQLZQGBIJC-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.46
Rot. Bonds4

About 3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propan-1-ol

3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propan-1-ol (PubChem CID 75519693) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propan-1-ol
PubChem CID75519693
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propan-1-ol
SMILESOCCCN1CCOC(c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)12-4-2-11(3-5-12)13-10-18(6-1-8-19)7-9-20-13/h2-5,13,19H,1,6-10H2
InChIKeyOFNUZQLZQGBIJC-UHFFFAOYSA-N
XLogP2.46
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propan-1-ol?
The IUPAC name of 3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propan-1-ol (CID 75519693) is 3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propan-1-ol.
What is the SMILES notation for 3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propan-1-ol?
The canonical SMILES for 3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propan-1-ol is OCCCN1CCOC(c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of 3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propan-1-ol?
The InChIKey is OFNUZQLZQGBIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c15-14(16,17)12-4-2-11(3-5-12)13-10-18(6-1-8-19)7-9-20-13/h2-5,13,19H,1,6-10H2.
What are the key properties of 3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propan-1-ol?
3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propan-1-ol has a molecular weight of 289.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(trifluoromethyl)phenyl]morpholin-4-yl]propan-1-ol is sourced from PubChem (CID 75519693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).