1-(2,3-difluorophenyl)dodecan-2-ol

C18H28F2O — CID 115789113

IUPAC1-(2,3-difluorophenyl)dodecan-2-ol
SMILESCCCCCCCCCCC(O)Cc1cccc(F)c1F
InChIInChI=1S/C18H28F2O/c1-2-3-4-5-6-7-8-9-12-16(21)14-15-11-10-13-17(19)18(15)20/h10-11,13,16,21H,2-9,12,14H2,1H3
InChIKeyFVNRKWPLJUCMAN-UHFFFAOYSA-N
MW298.42 g/mol
LogP5.40
Rot. Bonds11

About 1-(2,3-difluorophenyl)dodecan-2-ol

1-(2,3-difluorophenyl)dodecan-2-ol (PubChem CID 115789113) has the molecular formula C18H28F2O and a molecular weight of 298.42 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)dodecan-2-ol.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)dodecan-2-ol
PubChem CID115789113
Molecular FormulaC18H28F2O
Molecular Weight298.42 g/mol
Exact Mass298.21
IUPAC Name1-(2,3-difluorophenyl)dodecan-2-ol
SMILESCCCCCCCCCCC(O)Cc1cccc(F)c1F
InChIInChI=1S/C18H28F2O/c1-2-3-4-5-6-7-8-9-12-16(21)14-15-11-10-13-17(19)18(15)20/h10-11,13,16,21H,2-9,12,14H2,1H3
InChIKeyFVNRKWPLJUCMAN-UHFFFAOYSA-N
XLogP5.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.42
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)octan-2-ol
CID 62606363
1-(3-chloro-2-fluorophenyl)decan-2-ol
CID 82803410
1-(3-chloro-2-fluorophenyl)nonan-2-ol
CID 82803298
1,3-bis(2,3-difluorophenyl)propan-2-ol
CID 115788900
1,2-difluoro-3-(2-propylhexyl)benzene
CID 134378783
1-naphthalen-1-ylnonan-2-ol
CID 19902465
1-(2,5-difluorophenyl)octan-2-ol
CID 63901614
1-(2,4-difluorophenyl)decan-2-ol
CID 64559073
1-(2,4-difluorophenyl)nonan-2-ol
CID 63902016
1-(2,3-difluorophenyl)-3-(2-fluorophenyl)propan-2-ol
CID 55095617
1-(2,3-difluorophenyl)-4-methylpentan-2-ol
CID 62606503
1-(2,3-dichlorophenyl)heptan-2-ol
CID 107307492

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)dodecan-2-ol?
The IUPAC name of 1-(2,3-difluorophenyl)dodecan-2-ol (CID 115789113) is 1-(2,3-difluorophenyl)dodecan-2-ol.
What is the SMILES notation for 1-(2,3-difluorophenyl)dodecan-2-ol?
The canonical SMILES for 1-(2,3-difluorophenyl)dodecan-2-ol is CCCCCCCCCCC(O)Cc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)dodecan-2-ol?
The InChIKey is FVNRKWPLJUCMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28F2O/c1-2-3-4-5-6-7-8-9-12-16(21)14-15-11-10-13-17(19)18(15)20/h10-11,13,16,21H,2-9,12,14H2,1H3.
What are the key properties of 1-(2,3-difluorophenyl)dodecan-2-ol?
1-(2,3-difluorophenyl)dodecan-2-ol has a molecular weight of 298.42 g/mol, XLogP of 5.40, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)dodecan-2-ol is sourced from PubChem (CID 115789113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).