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

C13H18F2O — CID 65146702

IUPAC1-(2,3-difluorophenyl)-2,3-dimethylpentan-2-ol
SMILESCCC(C)C(C)(O)Cc1cccc(F)c1F
InChIInChI=1S/C13H18F2O/c1-4-9(2)13(3,16)8-10-6-5-7-11(14)12(10)15/h5-7,9,16H,4,8H2,1-3H3
InChIKeyLUMUNCPUXMMQTB-UHFFFAOYSA-N
MW228.28 g/mol
LogP3.30
Rot. Bonds4

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

1-(2,3-difluorophenyl)-2,3-dimethylpentan-2-ol (PubChem CID 65146702) has the molecular formula C13H18F2O and a molecular weight of 228.28 g/mol. Its IUPAC name is 1-(2,3-difluorophenyl)-2,3-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(2,3-difluorophenyl)-2,3-dimethylpentan-2-ol
PubChem CID65146702
Molecular FormulaC13H18F2O
Molecular Weight228.28 g/mol
Exact Mass228.13
IUPAC Name1-(2,3-difluorophenyl)-2,3-dimethylpentan-2-ol
SMILESCCC(C)C(C)(O)Cc1cccc(F)c1F
InChIInChI=1S/C13H18F2O/c1-4-9(2)13(3,16)8-10-6-5-7-11(14)12(10)15/h5-7,9,16H,4,8H2,1-3H3
InChIKeyLUMUNCPUXMMQTB-UHFFFAOYSA-N
XLogP3.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(2,3-difluorophenyl)-N-(2-hydroxy-2,3-dimethylpentyl)propanamide
CID 111446592
1-(2,2-dimethylbutyl)-2,3-difluorobenzene
CID 135277265
3-ethyl-1-(2-fluorophenyl)-2-methylpentan-2-ol
CID 114832904
1-(2,3-difluorophenyl)-2-methylheptan-2-ol
CID 80557812
1-(4-chloro-2,2-dimethylpentyl)-2,3-difluorobenzene
CID 64715152
1-(3,4-difluorophenyl)-2,3-dimethylpentan-2-ol
CID 82919789
1-(2,3-difluorophenyl)-2-(2-fluorophenyl)butan-2-ol
CID 115996284
2-[(2,3-difluorophenyl)methyl]-2-ethylbutan-1-ol
CID 66058296
3-methyl-2-(2,3,4-trifluorophenyl)pentan-2-ol
CID 62964258
1-(4-chlorophenyl)-2,3-dimethylpentan-2-ol
CID 60918368
1-(2,3-difluorophenyl)-4-methylhexan-2-one
CID 114875069
3-(2,3-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 62723528

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-difluorophenyl)-2,3-dimethylpentan-2-ol?
The IUPAC name of 1-(2,3-difluorophenyl)-2,3-dimethylpentan-2-ol (CID 65146702) is 1-(2,3-difluorophenyl)-2,3-dimethylpentan-2-ol.
What is the SMILES notation for 1-(2,3-difluorophenyl)-2,3-dimethylpentan-2-ol?
The canonical SMILES for 1-(2,3-difluorophenyl)-2,3-dimethylpentan-2-ol is CCC(C)C(C)(O)Cc1cccc(F)c1F.
What is the InChIKey of 1-(2,3-difluorophenyl)-2,3-dimethylpentan-2-ol?
The InChIKey is LUMUNCPUXMMQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2O/c1-4-9(2)13(3,16)8-10-6-5-7-11(14)12(10)15/h5-7,9,16H,4,8H2,1-3H3.
What are the key properties of 1-(2,3-difluorophenyl)-2,3-dimethylpentan-2-ol?
1-(2,3-difluorophenyl)-2,3-dimethylpentan-2-ol has a molecular weight of 228.28 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-difluorophenyl)-2,3-dimethylpentan-2-ol is sourced from PubChem (CID 65146702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).