4-(2,3-difluorophenyl)hexane-1,2-diol

C12H16F2O2 — CID 83925548

IUPAC4-(2,3-difluorophenyl)hexane-1,2-diol
SMILESCCC(CC(O)CO)c1cccc(F)c1F
InChIInChI=1S/C12H16F2O2/c1-2-8(6-9(16)7-15)10-4-3-5-11(13)12(10)14/h3-5,8-9,15-16H,2,6-7H2,1H3
InChIKeySOFWHGRCTNVKGR-UHFFFAOYSA-N
MW230.25 g/mol
LogP2.20
Rot. Bonds5

About 4-(2,3-difluorophenyl)hexane-1,2-diol

4-(2,3-difluorophenyl)hexane-1,2-diol (PubChem CID 83925548) has the molecular formula C12H16F2O2 and a molecular weight of 230.25 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)hexane-1,2-diol.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)hexane-1,2-diol
PubChem CID83925548
Molecular FormulaC12H16F2O2
Molecular Weight230.25 g/mol
Exact Mass230.11
IUPAC Name4-(2,3-difluorophenyl)hexane-1,2-diol
SMILESCCC(CC(O)CO)c1cccc(F)c1F
InChIInChI=1S/C12H16F2O2/c1-2-8(6-9(16)7-15)10-4-3-5-11(13)12(10)14/h3-5,8-9,15-16H,2,6-7H2,1H3
InChIKeySOFWHGRCTNVKGR-UHFFFAOYSA-N
XLogP2.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,3-difluorophenyl)butan-1-amine
CID 130760393
4-[2-(2-methylpropoxy)phenyl]hexane-1,2-diol
CID 83932510
(2R)-4-amino-4-(2-fluorophenyl)butane-1,2-diol
CID 144615590
(2S)-2-amino-2-(2,3-difluorophenyl)ethanol;hydrochloride
CID 171204156
1-(2,3-difluorophenyl)pentane-1,2-diol
CID 103454950
3-ethyl-1-(2-fluorophenyl)pentan-1-ol
CID 82919842
2-(2,3-difluorophenyl)-2-(propan-2-ylamino)ethanol
CID 63667424
(1R,2S)-1-amino-1-(2,3-difluorophenyl)-4-methylpentan-2-ol
CID 171160252
1,3-difluoro-2-pentan-3-ylbenzene
CID 123525738
methyl 4-amino-3-(2,3-difluorophenyl)butanoate
CID 66096205
1-amino-4-(2-fluoro-4,5-dimethylphenyl)hexan-2-ol
CID 83931690
1,2-difluoro-3-hept-1-yn-4-ylbenzene
CID 83925513

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-difluorophenyl)hexane-1,2-diol?
The IUPAC name of 4-(2,3-difluorophenyl)hexane-1,2-diol (CID 83925548) is 4-(2,3-difluorophenyl)hexane-1,2-diol.
What is the SMILES notation for 4-(2,3-difluorophenyl)hexane-1,2-diol?
The canonical SMILES for 4-(2,3-difluorophenyl)hexane-1,2-diol is CCC(CC(O)CO)c1cccc(F)c1F.
What is the InChIKey of 4-(2,3-difluorophenyl)hexane-1,2-diol?
The InChIKey is SOFWHGRCTNVKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2O2/c1-2-8(6-9(16)7-15)10-4-3-5-11(13)12(10)14/h3-5,8-9,15-16H,2,6-7H2,1H3.
What are the key properties of 4-(2,3-difluorophenyl)hexane-1,2-diol?
4-(2,3-difluorophenyl)hexane-1,2-diol has a molecular weight of 230.25 g/mol, XLogP of 2.20, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)hexane-1,2-diol is sourced from PubChem (CID 83925548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).