2-benzyl-3,3,3-trifluoropropan-1-ol

C10H11F3O — CID 11830528

IUPAC2-benzyl-3,3,3-trifluoropropan-1-ol
SMILESOCC(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H11F3O/c11-10(12,13)9(7-14)6-8-4-2-1-3-5-8/h1-5,9,14H,6-7H2
InChIKeyGMGBRGOFSVXWHW-UHFFFAOYSA-N
MW204.19 g/mol
LogP2.40
Rot. Bonds3

About 2-benzyl-3,3,3-trifluoropropan-1-ol

2-benzyl-3,3,3-trifluoropropan-1-ol (PubChem CID 11830528) has the molecular formula C10H11F3O and a molecular weight of 204.19 g/mol. Its IUPAC name is 2-benzyl-3,3,3-trifluoropropan-1-ol.

Molecular Properties

Compound Name2-benzyl-3,3,3-trifluoropropan-1-ol
PubChem CID11830528
Molecular FormulaC10H11F3O
Molecular Weight204.19 g/mol
Exact Mass204.08
IUPAC Name2-benzyl-3,3,3-trifluoropropan-1-ol
SMILESOCC(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H11F3O/c11-10(12,13)9(7-14)6-8-4-2-1-3-5-8/h1-5,9,14H,6-7H2
InChIKeyGMGBRGOFSVXWHW-UHFFFAOYSA-N
XLogP2.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.19
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3,3,3-trifluoropropan-1-ol?
The IUPAC name of 2-benzyl-3,3,3-trifluoropropan-1-ol (CID 11830528) is 2-benzyl-3,3,3-trifluoropropan-1-ol.
What is the SMILES notation for 2-benzyl-3,3,3-trifluoropropan-1-ol?
The canonical SMILES for 2-benzyl-3,3,3-trifluoropropan-1-ol is OCC(Cc1ccccc1)C(F)(F)F.
What is the InChIKey of 2-benzyl-3,3,3-trifluoropropan-1-ol?
The InChIKey is GMGBRGOFSVXWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O/c11-10(12,13)9(7-14)6-8-4-2-1-3-5-8/h1-5,9,14H,6-7H2.
What are the key properties of 2-benzyl-3,3,3-trifluoropropan-1-ol?
2-benzyl-3,3,3-trifluoropropan-1-ol has a molecular weight of 204.19 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3,3,3-trifluoropropan-1-ol is sourced from PubChem (CID 11830528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).