3,3-difluoro-1-phenylprop-2-en-1-ol

C9H8F2O — CID 12651429

IUPAC3,3-difluoro-1-phenylprop-2-en-1-ol
SMILESOC(C=C(F)F)c1ccccc1
InChIInChI=1S/C9H8F2O/c10-9(11)6-8(12)7-4-2-1-3-5-7/h1-6,8,12H
InChIKeyHMTMZKHPZZYQLJ-UHFFFAOYSA-N
MW170.16 g/mol
LogP2.50
Rot. Bonds2

About 3,3-difluoro-1-phenylprop-2-en-1-ol

3,3-difluoro-1-phenylprop-2-en-1-ol (PubChem CID 12651429) has the molecular formula C9H8F2O and a molecular weight of 170.16 g/mol. Its IUPAC name is 3,3-difluoro-1-phenylprop-2-en-1-ol.

Molecular Properties

Compound Name3,3-difluoro-1-phenylprop-2-en-1-ol
PubChem CID12651429
Molecular FormulaC9H8F2O
Molecular Weight170.16 g/mol
Exact Mass170.05
IUPAC Name3,3-difluoro-1-phenylprop-2-en-1-ol
SMILESOC(C=C(F)F)c1ccccc1
InChIInChI=1S/C9H8F2O/c10-9(11)6-8(12)7-4-2-1-3-5-7/h1-6,8,12H
InChIKeyHMTMZKHPZZYQLJ-UHFFFAOYSA-N
XLogP2.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-phenylprop-2-en-1-ol?
The IUPAC name of 3,3-difluoro-1-phenylprop-2-en-1-ol (CID 12651429) is 3,3-difluoro-1-phenylprop-2-en-1-ol.
What is the SMILES notation for 3,3-difluoro-1-phenylprop-2-en-1-ol?
The canonical SMILES for 3,3-difluoro-1-phenylprop-2-en-1-ol is OC(C=C(F)F)c1ccccc1.
What is the InChIKey of 3,3-difluoro-1-phenylprop-2-en-1-ol?
The InChIKey is HMTMZKHPZZYQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2O/c10-9(11)6-8(12)7-4-2-1-3-5-7/h1-6,8,12H.
What are the key properties of 3,3-difluoro-1-phenylprop-2-en-1-ol?
3,3-difluoro-1-phenylprop-2-en-1-ol has a molecular weight of 170.16 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-phenylprop-2-en-1-ol is sourced from PubChem (CID 12651429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).