2-(2-ethylhexyl)-2-(2-fluorophenyl)propane-1,3-diol

C17H27FO2 — CID 79447728

IUPAC2-(2-ethylhexyl)-2-(2-fluorophenyl)propane-1,3-diol
SMILESCCCCC(CC)CC(CO)(CO)c1ccccc1F
InChIInChI=1S/C17H27FO2/c1-3-5-8-14(4-2)11-17(12-19,13-20)15-9-6-7-10-16(15)18/h6-7,9-10,14,19-20H,3-5,8,11-13H2,1-2H3
InChIKeyGYWJSQVRSRFGDZ-UHFFFAOYSA-N
MW282.40 g/mol
LogP3.65
Rot. Bonds9

About 2-(2-ethylhexyl)-2-(2-fluorophenyl)propane-1,3-diol

2-(2-ethylhexyl)-2-(2-fluorophenyl)propane-1,3-diol (PubChem CID 79447728) has the molecular formula C17H27FO2 and a molecular weight of 282.40 g/mol. Its IUPAC name is 2-(2-ethylhexyl)-2-(2-fluorophenyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(2-ethylhexyl)-2-(2-fluorophenyl)propane-1,3-diol
PubChem CID79447728
Molecular FormulaC17H27FO2
Molecular Weight282.40 g/mol
Exact Mass282.20
IUPAC Name2-(2-ethylhexyl)-2-(2-fluorophenyl)propane-1,3-diol
SMILESCCCCC(CC)CC(CO)(CO)c1ccccc1F
InChIInChI=1S/C17H27FO2/c1-3-5-8-14(4-2)11-17(12-19,13-20)15-9-6-7-10-16(15)18/h6-7,9-10,14,19-20H,3-5,8,11-13H2,1-2H3
InChIKeyGYWJSQVRSRFGDZ-UHFFFAOYSA-N
XLogP3.65
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.40
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-2-pentylpropane-1,3-diol
CID 79447348
5-ethyl-3-(2-fluorophenyl)heptan-3-ol
CID 112679496
1-[1-chloro-2-(chloromethyl)-4-ethyloctan-2-yl]-2-methylbenzene
CID 79453391
2-(2-fluorophenyl)-2-(3-methylbutyl)propane-1,3-diol
CID 79447347
2-(aminomethyl)-2-(2-fluorophenyl)-6-methylheptan-1-ol
CID 106507214
2,2-bis[(2S)-2-ethylhexyl]propane-1,3-diol
CID 23628776
3-benzyl-5-ethylnonan-3-ol
CID 79007570
4-ethyl-2-(2-methylphenyl)octan-2-amine
CID 63408267
[2-[5-ethyl-7-(2-ethylhexyl)tetradecan-7-yl]phenyl] dihydrogen phosphite
CID 67658344
4-ethyl-2-(2-methoxyphenyl)octan-2-ol
CID 63407220
3-(aminomethyl)-5-ethyl-3-phenylnonan-2-ol
CID 66432776
2-[(3,4-dimethylphenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
CID 79445475

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexyl)-2-(2-fluorophenyl)propane-1,3-diol?
The IUPAC name of 2-(2-ethylhexyl)-2-(2-fluorophenyl)propane-1,3-diol (CID 79447728) is 2-(2-ethylhexyl)-2-(2-fluorophenyl)propane-1,3-diol.
What is the SMILES notation for 2-(2-ethylhexyl)-2-(2-fluorophenyl)propane-1,3-diol?
The canonical SMILES for 2-(2-ethylhexyl)-2-(2-fluorophenyl)propane-1,3-diol is CCCCC(CC)CC(CO)(CO)c1ccccc1F.
What is the InChIKey of 2-(2-ethylhexyl)-2-(2-fluorophenyl)propane-1,3-diol?
The InChIKey is GYWJSQVRSRFGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27FO2/c1-3-5-8-14(4-2)11-17(12-19,13-20)15-9-6-7-10-16(15)18/h6-7,9-10,14,19-20H,3-5,8,11-13H2,1-2H3.
What are the key properties of 2-(2-ethylhexyl)-2-(2-fluorophenyl)propane-1,3-diol?
2-(2-ethylhexyl)-2-(2-fluorophenyl)propane-1,3-diol has a molecular weight of 282.40 g/mol, XLogP of 3.65, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexyl)-2-(2-fluorophenyl)propane-1,3-diol is sourced from PubChem (CID 79447728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).