3,3-difluoro-3-phenylpropane-1,2-diol

C9H10F2O2 — CID 101393627

IUPAC3,3-difluoro-3-phenylpropane-1,2-diol
SMILESOCC(O)C(F)(F)c1ccccc1
InChIInChI=1S/C9H10F2O2/c10-9(11,8(13)6-12)7-4-2-1-3-5-7/h1-5,8,12-13H,6H2
InChIKeyFDCQSLSYAJBEQE-UHFFFAOYSA-N
MW188.17 g/mol
LogP1.13
Rot. Bonds3

About 3,3-difluoro-3-phenylpropane-1,2-diol

3,3-difluoro-3-phenylpropane-1,2-diol (PubChem CID 101393627) has the molecular formula C9H10F2O2 and a molecular weight of 188.17 g/mol. Its IUPAC name is 3,3-difluoro-3-phenylpropane-1,2-diol.

Molecular Properties

Compound Name3,3-difluoro-3-phenylpropane-1,2-diol
PubChem CID101393627
Molecular FormulaC9H10F2O2
Molecular Weight188.17 g/mol
Exact Mass188.06
IUPAC Name3,3-difluoro-3-phenylpropane-1,2-diol
SMILESOCC(O)C(F)(F)c1ccccc1
InChIInChI=1S/C9H10F2O2/c10-9(11,8(13)6-12)7-4-2-1-3-5-7/h1-5,8,12-13H,6H2
InChIKeyFDCQSLSYAJBEQE-UHFFFAOYSA-N
XLogP1.13
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-3-phenylpropane-1,2-diol?
The IUPAC name of 3,3-difluoro-3-phenylpropane-1,2-diol (CID 101393627) is 3,3-difluoro-3-phenylpropane-1,2-diol.
What is the SMILES notation for 3,3-difluoro-3-phenylpropane-1,2-diol?
The canonical SMILES for 3,3-difluoro-3-phenylpropane-1,2-diol is OCC(O)C(F)(F)c1ccccc1.
What is the InChIKey of 3,3-difluoro-3-phenylpropane-1,2-diol?
The InChIKey is FDCQSLSYAJBEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2/c10-9(11,8(13)6-12)7-4-2-1-3-5-7/h1-5,8,12-13H,6H2.
What are the key properties of 3,3-difluoro-3-phenylpropane-1,2-diol?
3,3-difluoro-3-phenylpropane-1,2-diol has a molecular weight of 188.17 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-3-phenylpropane-1,2-diol is sourced from PubChem (CID 101393627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).