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

C10H12F2O2 — CID 105411055

IUPAC2-[(3,5-difluorophenyl)methyl]propane-1,3-diol
SMILESOCC(CO)Cc1cc(F)cc(F)c1
InChIInChI=1S/C10H12F2O2/c11-9-2-7(3-10(12)4-9)1-8(5-13)6-14/h2-4,8,13-14H,1,5-6H2
InChIKeyUBWDEKURVWDGEM-UHFFFAOYSA-N
MW202.20 g/mol
LogP1.11
Rot. Bonds4

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

2-[(3,5-difluorophenyl)methyl]propane-1,3-diol (PubChem CID 105411055) has the molecular formula C10H12F2O2 and a molecular weight of 202.20 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]propane-1,3-diol
PubChem CID105411055
Molecular FormulaC10H12F2O2
Molecular Weight202.20 g/mol
Exact Mass202.08
IUPAC Name2-[(3,5-difluorophenyl)methyl]propane-1,3-diol
SMILESOCC(CO)Cc1cc(F)cc(F)c1
InChIInChI=1S/C10H12F2O2/c11-9-2-7(3-10(12)4-9)1-8(5-13)6-14/h2-4,8,13-14H,1,5-6H2
InChIKeyUBWDEKURVWDGEM-UHFFFAOYSA-N
XLogP1.11
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3,5-difluorophenyl)methyl]butan-1-ol
CID 105410784
2-[(3,5-difluorophenyl)methyl]-4-methylpentan-1-ol
CID 105410776
2-[(3,5-difluorophenyl)methyl]pentan-1-ol
CID 105410780
(2R)-2-amino-3-(3,5-difluorophenyl)propan-1-ol
CID 162341885
1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-3,5-difluorobenzene
CID 105410889
1-amino-3-(3,5-difluorophenyl)propan-2-ol
CID 83442505
2-(4-chlorophenyl)-3-(3,5-difluorophenyl)propan-1-ol
CID 105410822
3-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-1-ol
CID 105410820
2-amino-3-(3-fluoro-5-methylphenyl)propan-1-ol
CID 131115629
1-(2-chloropropyl)-3,5-difluorobenzene
CID 126973917
1-(3,5-difluorophenyl)-2-methylpentan-3-ol
CID 105407726
1-(3,5-difluorophenyl)hexane-2,3-diol
CID 103454783

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]propane-1,3-diol?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]propane-1,3-diol (CID 105411055) is 2-[(3,5-difluorophenyl)methyl]propane-1,3-diol.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]propane-1,3-diol?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]propane-1,3-diol is OCC(CO)Cc1cc(F)cc(F)c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]propane-1,3-diol?
The InChIKey is UBWDEKURVWDGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O2/c11-9-2-7(3-10(12)4-9)1-8(5-13)6-14/h2-4,8,13-14H,1,5-6H2.
What are the key properties of 2-[(3,5-difluorophenyl)methyl]propane-1,3-diol?
2-[(3,5-difluorophenyl)methyl]propane-1,3-diol has a molecular weight of 202.20 g/mol, XLogP of 1.11, 4 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]propane-1,3-diol is sourced from PubChem (CID 105411055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).