4-[(2,6-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol

C16H24F2O — CID 114931192

IUPAC4-[(2,6-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol
SMILESCC(C)CC(O)(Cc1c(F)cccc1F)CC(C)C
InChIInChI=1S/C16H24F2O/c1-11(2)8-16(19,9-12(3)4)10-13-14(17)6-5-7-15(13)18/h5-7,11-12,19H,8-10H2,1-4H3
InChIKeyRFYNZIOJQLVZCI-UHFFFAOYSA-N
MW270.36 g/mol
LogP4.33
Rot. Bonds6

About 4-[(2,6-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol

4-[(2,6-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol (PubChem CID 114931192) has the molecular formula C16H24F2O and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol
PubChem CID114931192
Molecular FormulaC16H24F2O
Molecular Weight270.36 g/mol
Exact Mass270.18
IUPAC Name4-[(2,6-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol
SMILESCC(C)CC(O)(Cc1c(F)cccc1F)CC(C)C
InChIInChI=1S/C16H24F2O/c1-11(2)8-16(19,9-12(3)4)10-13-14(17)6-5-7-15(13)18/h5-7,11-12,19H,8-10H2,1-4H3
InChIKeyRFYNZIOJQLVZCI-UHFFFAOYSA-N
XLogP4.33
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2-chloro-3-fluorophenyl)methyl]-2,6-dimethylheptan-4-ol
CID 114865539
1-(2,6-difluorophenyl)-2,3-dimethylbutan-2-ol
CID 114930978
4-(2,6-difluorophenyl)-2,6-dimethylheptan-4-ol
CID 114865092
1-(2,6-difluorophenyl)-2-phenylpropan-2-ol
CID 114930959
1-(2,6-difluorophenyl)-2-(2-fluorophenyl)propan-2-ol
CID 114930965
1-(2,6-difluorophenyl)-2-methylbutan-2-ol
CID 114930976
1-(2,6-difluorophenyl)-2-(methoxymethyl)-3-methylbutan-2-ol
CID 114931097
4-[(3,5-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol
CID 105402823
3-(aminomethyl)-4-(2,6-difluorophenyl)-3-methylbutan-2-ol
CID 114934759
1-(2,6-difluorophenyl)butane-2,3-diol
CID 103452859
4-[(4-fluoro-2-methylphenyl)methyl]-2,6-dimethylheptan-4-ol
CID 114865108
1-(2,6-difluorophenyl)-2-(4-methoxyphenyl)propan-2-ol
CID 114930972

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol?
The IUPAC name of 4-[(2,6-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol (CID 114931192) is 4-[(2,6-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol.
What is the SMILES notation for 4-[(2,6-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol?
The canonical SMILES for 4-[(2,6-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol is CC(C)CC(O)(Cc1c(F)cccc1F)CC(C)C.
What is the InChIKey of 4-[(2,6-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol?
The InChIKey is RFYNZIOJQLVZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2O/c1-11(2)8-16(19,9-12(3)4)10-13-14(17)6-5-7-15(13)18/h5-7,11-12,19H,8-10H2,1-4H3.
What are the key properties of 4-[(2,6-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol?
4-[(2,6-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol has a molecular weight of 270.36 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol is sourced from PubChem (CID 114931192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).