2-(2-fluorophenyl)-2-pentylpropane-1,3-diol

C14H21FO2 — CID 79447348

IUPAC2-(2-fluorophenyl)-2-pentylpropane-1,3-diol
SMILESCCCCCC(CO)(CO)c1ccccc1F
InChIInChI=1S/C14H21FO2/c1-2-3-6-9-14(10-16,11-17)12-7-4-5-8-13(12)15/h4-5,7-8,16-17H,2-3,6,9-11H2,1H3
InChIKeyPYWOYLYIVOBQKJ-UHFFFAOYSA-N
MW240.32 g/mol
LogP2.63
Rot. Bonds7

About 2-(2-fluorophenyl)-2-pentylpropane-1,3-diol

2-(2-fluorophenyl)-2-pentylpropane-1,3-diol (PubChem CID 79447348) has the molecular formula C14H21FO2 and a molecular weight of 240.32 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-2-pentylpropane-1,3-diol.

Molecular Properties

Compound Name2-(2-fluorophenyl)-2-pentylpropane-1,3-diol
PubChem CID79447348
Molecular FormulaC14H21FO2
Molecular Weight240.32 g/mol
Exact Mass240.15
IUPAC Name2-(2-fluorophenyl)-2-pentylpropane-1,3-diol
SMILESCCCCCC(CO)(CO)c1ccccc1F
InChIInChI=1S/C14H21FO2/c1-2-3-6-9-14(10-16,11-17)12-7-4-5-8-13(12)15/h4-5,7-8,16-17H,2-3,6,9-11H2,1H3
InChIKeyPYWOYLYIVOBQKJ-UHFFFAOYSA-N
XLogP2.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluorophenyl)nonan-2-ol
CID 65144891
2-(2-fluorophenyl)-2-(3-methylbutyl)propane-1,3-diol
CID 79447347
2-(2-ethylhexyl)-2-(2-fluorophenyl)propane-1,3-diol
CID 79447728
1-fluoro-2-(2-methyloctan-2-yl)benzene
CID 155122993
2-(aminomethyl)-2-(2-fluorophenyl)-6-methylheptan-1-ol
CID 106507214
2-(3-fluorophenyl)-2-pentylpropane-1,3-diol
CID 79449979
2-ethyl-2-phenylnonan-1-ol
CID 66057887
2-ethyl-2-phenyldecan-1-ol
CID 66058928
2-(2-fluoroanilino)-2-methylnonan-1-ol
CID 55198849
2-(6-ethylundecan-6-yl)phenol
CID 87183650
2-butyl-2-phenylpropane-1,3-diol
CID 79449681
1-(5-butyldecan-5-yl)-2-methylbenzene
CID 173021095

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-2-pentylpropane-1,3-diol?
The IUPAC name of 2-(2-fluorophenyl)-2-pentylpropane-1,3-diol (CID 79447348) is 2-(2-fluorophenyl)-2-pentylpropane-1,3-diol.
What is the SMILES notation for 2-(2-fluorophenyl)-2-pentylpropane-1,3-diol?
The canonical SMILES for 2-(2-fluorophenyl)-2-pentylpropane-1,3-diol is CCCCCC(CO)(CO)c1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-2-pentylpropane-1,3-diol?
The InChIKey is PYWOYLYIVOBQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO2/c1-2-3-6-9-14(10-16,11-17)12-7-4-5-8-13(12)15/h4-5,7-8,16-17H,2-3,6,9-11H2,1H3.
What are the key properties of 2-(2-fluorophenyl)-2-pentylpropane-1,3-diol?
2-(2-fluorophenyl)-2-pentylpropane-1,3-diol has a molecular weight of 240.32 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-2-pentylpropane-1,3-diol is sourced from PubChem (CID 79447348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).