1,1,3-trifluoropropan-1-ol

C3H5F3O — CID 18319092

IUPAC1,1,3-trifluoropropan-1-ol
SMILESOC(F)(F)CCF
InChIInChI=1S/C3H5F3O/c4-2-1-3(5,6)7/h7H,1-2H2
InChIKeyZJBFUMKCVWBUKD-UHFFFAOYSA-N
MW114.07 g/mol
LogP0.93
Rot. Bonds2

About 1,1,3-trifluoropropan-1-ol

1,1,3-trifluoropropan-1-ol (PubChem CID 18319092) has the molecular formula C3H5F3O and a molecular weight of 114.07 g/mol. Its IUPAC name is 1,1,3-trifluoropropan-1-ol.

Molecular Properties

Compound Name1,1,3-trifluoropropan-1-ol
PubChem CID18319092
Molecular FormulaC3H5F3O
Molecular Weight114.07 g/mol
Exact Mass114.03
IUPAC Name1,1,3-trifluoropropan-1-ol
SMILESOC(F)(F)CCF
InChIInChI=1S/C3H5F3O/c4-2-1-3(5,6)7/h7H,1-2H2
InChIKeyZJBFUMKCVWBUKD-UHFFFAOYSA-N
XLogP0.93
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.07
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,3-trifluoropropan-1-ol?
The IUPAC name of 1,1,3-trifluoropropan-1-ol (CID 18319092) is 1,1,3-trifluoropropan-1-ol.
What is the SMILES notation for 1,1,3-trifluoropropan-1-ol?
The canonical SMILES for 1,1,3-trifluoropropan-1-ol is OC(F)(F)CCF.
What is the InChIKey of 1,1,3-trifluoropropan-1-ol?
The InChIKey is ZJBFUMKCVWBUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3O/c4-2-1-3(5,6)7/h7H,1-2H2.
What are the key properties of 1,1,3-trifluoropropan-1-ol?
1,1,3-trifluoropropan-1-ol has a molecular weight of 114.07 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trifluoropropan-1-ol is sourced from PubChem (CID 18319092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).