3,3,3-trifluoro-1-phenylpropan-1-ol

C9H9F3O — CID 15001607

IUPAC3,3,3-trifluoro-1-phenylpropan-1-ol
SMILESOC(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C9H9F3O/c10-9(11,12)6-8(13)7-4-2-1-3-5-7/h1-5,8,13H,6H2
InChIKeyFGQDXXGWOGKGBU-UHFFFAOYSA-N
MW190.16 g/mol
LogP2.67
Rot. Bonds2

About 3,3,3-trifluoro-1-phenylpropan-1-ol

3,3,3-trifluoro-1-phenylpropan-1-ol (PubChem CID 15001607) has the molecular formula C9H9F3O and a molecular weight of 190.16 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-phenylpropan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-1-phenylpropan-1-ol
PubChem CID15001607
Molecular FormulaC9H9F3O
Molecular Weight190.16 g/mol
Exact Mass190.06
IUPAC Name3,3,3-trifluoro-1-phenylpropan-1-ol
SMILESOC(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C9H9F3O/c10-9(11,12)6-8(13)7-4-2-1-3-5-7/h1-5,8,13H,6H2
InChIKeyFGQDXXGWOGKGBU-UHFFFAOYSA-N
XLogP2.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-phenylpropan-1-ol?
The IUPAC name of 3,3,3-trifluoro-1-phenylpropan-1-ol (CID 15001607) is 3,3,3-trifluoro-1-phenylpropan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-1-phenylpropan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-1-phenylpropan-1-ol is OC(CC(F)(F)F)c1ccccc1.
What is the InChIKey of 3,3,3-trifluoro-1-phenylpropan-1-ol?
The InChIKey is FGQDXXGWOGKGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O/c10-9(11,12)6-8(13)7-4-2-1-3-5-7/h1-5,8,13H,6H2.
What are the key properties of 3,3,3-trifluoro-1-phenylpropan-1-ol?
3,3,3-trifluoro-1-phenylpropan-1-ol has a molecular weight of 190.16 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-phenylpropan-1-ol is sourced from PubChem (CID 15001607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).