1-cyclopropyl-3-(2,5-difluorophenyl)propane-1,2-diol

C12H14F2O2 — CID 103456708

IUPAC1-cyclopropyl-3-(2,5-difluorophenyl)propane-1,2-diol
SMILESOC(Cc1cc(F)ccc1F)C(O)C1CC1
InChIInChI=1S/C12H14F2O2/c13-9-3-4-10(14)8(5-9)6-11(15)12(16)7-1-2-7/h3-5,7,11-12,15-16H,1-2,6H2
InChIKeyLVQBIZIIKKOCKT-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.64
Rot. Bonds4

About 1-cyclopropyl-3-(2,5-difluorophenyl)propane-1,2-diol

1-cyclopropyl-3-(2,5-difluorophenyl)propane-1,2-diol (PubChem CID 103456708) has the molecular formula C12H14F2O2 and a molecular weight of 228.24 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2,5-difluorophenyl)propane-1,2-diol.

Molecular Properties

Compound Name1-cyclopropyl-3-(2,5-difluorophenyl)propane-1,2-diol
PubChem CID103456708
Molecular FormulaC12H14F2O2
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name1-cyclopropyl-3-(2,5-difluorophenyl)propane-1,2-diol
SMILESOC(Cc1cc(F)ccc1F)C(O)C1CC1
InChIInChI=1S/C12H14F2O2/c13-9-3-4-10(14)8(5-9)6-11(15)12(16)7-1-2-7/h3-5,7,11-12,15-16H,1-2,6H2
InChIKeyLVQBIZIIKKOCKT-UHFFFAOYSA-N
XLogP1.64
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-1-(2,5-difluorophenyl)butan-2-ol
CID 114982150
2-(2,5-difluorophenyl)-1-piperidin-2-ylethanol
CID 106634597
1-cyclobutyl-2-(2,5-difluorophenyl)ethanamine
CID 64986442
1-(2,5-difluorophenyl)-3-methylhexan-2-ol
CID 63901618
3-(2-bromo-3-fluorophenyl)-1-cyclopropylpropane-1,2-diol
CID 103456877
1-(2,5-difluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
CID 103547378
1-cyclopropyl-3-(2-fluoro-3-methoxyphenyl)propane-1,2-diol
CID 103456969
1-(4-cyclopropylphenyl)-2-(2,5-difluorophenyl)ethanol
CID 79980804
3-(5-chloro-2-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 103048349
1-(2,5-difluorophenyl)-3-phenylbutan-2-ol
CID 63901819
1-cycloheptyl-2-(2,5-difluorophenyl)-N-methylethanamine
CID 65399564
4-[2-(2,5-difluorophenyl)-1-fluoroethyl]piperidine
CID 112563707

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(2,5-difluorophenyl)propane-1,2-diol?
The IUPAC name of 1-cyclopropyl-3-(2,5-difluorophenyl)propane-1,2-diol (CID 103456708) is 1-cyclopropyl-3-(2,5-difluorophenyl)propane-1,2-diol.
What is the SMILES notation for 1-cyclopropyl-3-(2,5-difluorophenyl)propane-1,2-diol?
The canonical SMILES for 1-cyclopropyl-3-(2,5-difluorophenyl)propane-1,2-diol is OC(Cc1cc(F)ccc1F)C(O)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2,5-difluorophenyl)propane-1,2-diol?
The InChIKey is LVQBIZIIKKOCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2O2/c13-9-3-4-10(14)8(5-9)6-11(15)12(16)7-1-2-7/h3-5,7,11-12,15-16H,1-2,6H2.
What are the key properties of 1-cyclopropyl-3-(2,5-difluorophenyl)propane-1,2-diol?
1-cyclopropyl-3-(2,5-difluorophenyl)propane-1,2-diol has a molecular weight of 228.24 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2,5-difluorophenyl)propane-1,2-diol is sourced from PubChem (CID 103456708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).