2-[(3,5-difluorophenyl)methyl]-2-phenylpropane-1,3-diol

C16H16F2O2 — CID 105411067

IUPAC2-[(3,5-difluorophenyl)methyl]-2-phenylpropane-1,3-diol
SMILESOCC(CO)(Cc1cc(F)cc(F)c1)c1ccccc1
InChIInChI=1S/C16H16F2O2/c17-14-6-12(7-15(18)8-14)9-16(10-19,11-20)13-4-2-1-3-5-13/h1-8,19-20H,9-11H2
InChIKeyGBCQZMNQTCJQMI-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.43
Rot. Bonds5

About 2-[(3,5-difluorophenyl)methyl]-2-phenylpropane-1,3-diol

2-[(3,5-difluorophenyl)methyl]-2-phenylpropane-1,3-diol (PubChem CID 105411067) has the molecular formula C16H16F2O2 and a molecular weight of 278.30 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]-2-phenylpropane-1,3-diol.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]-2-phenylpropane-1,3-diol
PubChem CID105411067
Molecular FormulaC16H16F2O2
Molecular Weight278.30 g/mol
Exact Mass278.11
IUPAC Name2-[(3,5-difluorophenyl)methyl]-2-phenylpropane-1,3-diol
SMILESOCC(CO)(Cc1cc(F)cc(F)c1)c1ccccc1
InChIInChI=1S/C16H16F2O2/c17-14-6-12(7-15(18)8-14)9-16(10-19,11-20)13-4-2-1-3-5-13/h1-8,19-20H,9-11H2
InChIKeyGBCQZMNQTCJQMI-UHFFFAOYSA-N
XLogP2.43
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,5-difluorophenyl)methyl]-2-(4-methylphenyl)propane-1,3-diol
CID 105411070
1-[3-bromo-2-(bromomethyl)-2-phenylpropyl]-3,5-difluorobenzene
CID 105411144
2-(aminomethyl)-3-(3-bromo-5-fluorophenyl)-2-phenylpropan-1-ol
CID 106508102
2-(aminomethyl)-3-(3-fluorophenyl)-2-phenylpropan-1-ol
CID 106508050
2-(aminomethyl)-3-(3,5-difluorophenyl)-2-(3-methylphenyl)propan-1-ol
CID 106507369
2-(furan-3-ylmethyl)-2-phenylpropane-1,3-diol
CID 83183437
2-[(3-bromophenyl)methyl]-2-(4-fluorophenyl)propane-1,3-diol
CID 79450772
2-benzyl-2-(3-bromophenyl)propane-1,3-diol
CID 79447171
1-(3,5-difluorophenyl)-2-(3-fluorophenyl)propan-2-ol
CID 105402440
2-(aminomethyl)-3-(3-bromo-4-fluorophenyl)-2-phenylpropan-1-ol
CID 106508120
2-[(2-chloro-5-fluorophenyl)methyl]-2-phenylbutan-1-ol
CID 102621164
2-[(3-fluoro-4-methoxyphenyl)methyl]-2-phenylbutan-1-ol
CID 66059563

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]-2-phenylpropane-1,3-diol?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]-2-phenylpropane-1,3-diol (CID 105411067) is 2-[(3,5-difluorophenyl)methyl]-2-phenylpropane-1,3-diol.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]-2-phenylpropane-1,3-diol?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]-2-phenylpropane-1,3-diol is OCC(CO)(Cc1cc(F)cc(F)c1)c1ccccc1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]-2-phenylpropane-1,3-diol?
The InChIKey is GBCQZMNQTCJQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2O2/c17-14-6-12(7-15(18)8-14)9-16(10-19,11-20)13-4-2-1-3-5-13/h1-8,19-20H,9-11H2.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]-2-phenylpropane-1,3-diol?
2-[(3,5-difluorophenyl)methyl]-2-phenylpropane-1,3-diol has a molecular weight of 278.30 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methyl]-2-phenylpropane-1,3-diol is sourced from PubChem (CID 105411067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).