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

C14H21FO2 — CID 79447347

IUPAC2-(2-fluorophenyl)-2-(3-methylbutyl)propane-1,3-diol
SMILESCC(C)CCC(CO)(CO)c1ccccc1F
InChIInChI=1S/C14H21FO2/c1-11(2)7-8-14(9-16,10-17)12-5-3-4-6-13(12)15/h3-6,11,16-17H,7-10H2,1-2H3
InChIKeyGVDHKDPNTYAFAN-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.48
Rot. Bonds6

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

2-(2-fluorophenyl)-2-(3-methylbutyl)propane-1,3-diol (PubChem CID 79447347) has the molecular formula C14H21FO2 and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-(3-methylbutyl)propane-1,3-diol.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-(3-methylbutyl)propane-1,3-diol
PubChem CID79447347
Molecular FormulaC14H21FO2
Molecular Weight240.32 g/mol
Exact Mass240.15
IUPAC Name2-(2-fluorophenyl)-2-(3-methylbutyl)propane-1,3-diol
SMILESCC(C)CCC(CO)(CO)c1ccccc1F
InChIInChI=1S/C14H21FO2/c1-11(2)7-8-14(9-16,10-17)12-5-3-4-6-13(12)15/h3-6,11,16-17H,7-10H2,1-2H3
InChIKeyGVDHKDPNTYAFAN-UHFFFAOYSA-N
XLogP2.48
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-chloro-2-(chloromethyl)-5-methylhexan-2-yl]-2-fluorobenzene
CID 79453500
2-(aminomethyl)-2-(2-fluorophenyl)-6-methylheptan-1-ol
CID 106507214
2-(3-methylbutyl)-2-(2-methylphenyl)propane-1,3-diol
CID 79449876
2-(2-fluorophenyl)-2-pentylpropane-1,3-diol
CID 79447348
2-(2-fluoroanilino)-2,5-dimethylhexan-1-ol
CID 61049721
2-(2-ethylhexyl)-2-(2-fluorophenyl)propane-1,3-diol
CID 79447728
(2S)-2-amino-2-(2-fluorophenyl)propan-1-ol
CID 90016000
2-(4-methylpentyl)-2-phenylpropane-1,3-diol
CID 83168289
2-[(3,4-dimethylphenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
CID 79445475
2-(aminomethyl)-3-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-1-ol
CID 106507202
2-[(2-chloro-5-fluorophenyl)methyl]-2-(2-fluorophenyl)propane-1,3-diol
CID 102621542
N-[2-(2-fluorophenyl)-2-methylpropyl]-3-methylbutanamide
CID 110442195

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-(3-methylbutyl)propane-1,3-diol?
The IUPAC name of 2-(2-fluorophenyl)-2-(3-methylbutyl)propane-1,3-diol (CID 79447347) is 2-(2-fluorophenyl)-2-(3-methylbutyl)propane-1,3-diol.
What is the SMILES notation for 2-(2-fluorophenyl)-2-(3-methylbutyl)propane-1,3-diol?
The canonical SMILES for 2-(2-fluorophenyl)-2-(3-methylbutyl)propane-1,3-diol is CC(C)CCC(CO)(CO)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-2-(3-methylbutyl)propane-1,3-diol?
The InChIKey is GVDHKDPNTYAFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO2/c1-11(2)7-8-14(9-16,10-17)12-5-3-4-6-13(12)15/h3-6,11,16-17H,7-10H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-2-(3-methylbutyl)propane-1,3-diol?
2-(2-fluorophenyl)-2-(3-methylbutyl)propane-1,3-diol has a molecular weight of 240.32 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-(3-methylbutyl)propane-1,3-diol is sourced from PubChem (CID 79447347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).