2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diol

C10H12ClFO2 — CID 122239719

IUPAC2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diol
SMILESOCC(F)(CO)Cc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClFO2/c11-9-3-1-8(2-4-9)5-10(12,6-13)7-14/h1-4,13-14H,5-7H2
InChIKeyCGDSTMDGAFSENX-UHFFFAOYSA-N
MW218.65 g/mol
LogP1.58
Rot. Bonds4

About 2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diol

2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diol (PubChem CID 122239719) has the molecular formula C10H12ClFO2 and a molecular weight of 218.65 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diol.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diol
PubChem CID122239719
Molecular FormulaC10H12ClFO2
Molecular Weight218.65 g/mol
Exact Mass218.05
IUPAC Name2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diol
SMILESOCC(F)(CO)Cc1ccc(Cl)cc1
InChIInChI=1S/C10H12ClFO2/c11-9-3-1-8(2-4-9)5-10(12,6-13)7-14/h1-4,13-14H,5-7H2
InChIKeyCGDSTMDGAFSENX-UHFFFAOYSA-N
XLogP1.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.65
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diamine
CID 122239721
3-(4-chlorophenyl)-2-methoxy-2-methylpropan-1-ol
CID 105468174
2-chloro-2-[(4-chlorophenyl)methyl]propanedioic acid
CID 122378563
3-(4-chlorophenyl)-2-fluoro-2-methylpropan-1-amine
CID 84721389
1-chloro-4-(2-chloro-2-methylpropyl)benzene
CID 82026569
2-[(4-chlorophenyl)methyl]-2-(2-methylphenyl)propane-1,3-diol
CID 79450494
2-(4-chlorophenyl)-2-[(3,4-difluorophenyl)methyl]propane-1,3-diol
CID 82927101
1-[2-(4-chlorophenyl)-1,1-difluoroethyl]cyclopropan-1-amine
CID 105490341
(2S)-3-(4-chlorophenyl)-1,1,1-trifluoropropan-2-ol
CID 94905407
2-(aminomethyl)-3-(4-chlorophenyl)-2-(3-fluorophenyl)propan-1-ol
CID 106507025
1-chloro-4-(1,1-difluoro-2-phenylethyl)benzene
CID 12634147
2,2,3-tris(4-chlorophenyl)propanoyl chloride
CID 54259646

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diol?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diol (CID 122239719) is 2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diol.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diol?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diol is OCC(F)(CO)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diol?
The InChIKey is CGDSTMDGAFSENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO2/c11-9-3-1-8(2-4-9)5-10(12,6-13)7-14/h1-4,13-14H,5-7H2.
What are the key properties of 2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diol?
2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diol has a molecular weight of 218.65 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-2-fluoropropane-1,3-diol is sourced from PubChem (CID 122239719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).