3-(trifluoromethoxy)propan-1-ol

C4H7F3O2 — CID 53433750

IUPAC3-(trifluoromethoxy)propan-1-ol
SMILESOCCCOC(F)(F)F
InChIInChI=1S/C4H7F3O2/c5-4(6,7)9-3-1-2-8/h8H,1-3H2
InChIKeyDKJIZESVWJPTPV-UHFFFAOYSA-N
MW144.09 g/mol
LogP0.91
Rot. Bonds3

About 3-(trifluoromethoxy)propan-1-ol

3-(trifluoromethoxy)propan-1-ol (PubChem CID 53433750) has the molecular formula C4H7F3O2 and a molecular weight of 144.09 g/mol. Its IUPAC name is 3-(trifluoromethoxy)propan-1-ol.

Molecular Properties

Compound Name3-(trifluoromethoxy)propan-1-ol
PubChem CID53433750
Molecular FormulaC4H7F3O2
Molecular Weight144.09 g/mol
Exact Mass144.04
IUPAC Name3-(trifluoromethoxy)propan-1-ol
SMILESOCCCOC(F)(F)F
InChIInChI=1S/C4H7F3O2/c5-4(6,7)9-3-1-2-8/h8H,1-3H2
InChIKeyDKJIZESVWJPTPV-UHFFFAOYSA-N
XLogP0.91
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.09
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethoxy)propan-1-ol?
The IUPAC name of 3-(trifluoromethoxy)propan-1-ol (CID 53433750) is 3-(trifluoromethoxy)propan-1-ol.
What is the SMILES notation for 3-(trifluoromethoxy)propan-1-ol?
The canonical SMILES for 3-(trifluoromethoxy)propan-1-ol is OCCCOC(F)(F)F.
What is the InChIKey of 3-(trifluoromethoxy)propan-1-ol?
The InChIKey is DKJIZESVWJPTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3O2/c5-4(6,7)9-3-1-2-8/h8H,1-3H2.
What are the key properties of 3-(trifluoromethoxy)propan-1-ol?
3-(trifluoromethoxy)propan-1-ol has a molecular weight of 144.09 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethoxy)propan-1-ol is sourced from PubChem (CID 53433750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).