4-(2,6-difluorophenyl)-2,6-dimethylheptan-4-ol

C15H22F2O — CID 114865092

IUPAC4-(2,6-difluorophenyl)-2,6-dimethylheptan-4-ol
SMILESCC(C)CC(O)(CC(C)C)c1c(F)cccc1F
InChIInChI=1S/C15H22F2O/c1-10(2)8-15(18,9-11(3)4)14-12(16)6-5-7-13(14)17/h5-7,10-11,18H,8-9H2,1-4H3
InChIKeyBZARXIGJYYKPLF-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.24
Rot. Bonds5

About 4-(2,6-difluorophenyl)-2,6-dimethylheptan-4-ol

4-(2,6-difluorophenyl)-2,6-dimethylheptan-4-ol (PubChem CID 114865092) has the molecular formula C15H22F2O and a molecular weight of 256.34 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)-2,6-dimethylheptan-4-ol.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)-2,6-dimethylheptan-4-ol
PubChem CID114865092
Molecular FormulaC15H22F2O
Molecular Weight256.34 g/mol
Exact Mass256.16
IUPAC Name4-(2,6-difluorophenyl)-2,6-dimethylheptan-4-ol
SMILESCC(C)CC(O)(CC(C)C)c1c(F)cccc1F
InChIInChI=1S/C15H22F2O/c1-10(2)8-15(18,9-11(3)4)14-12(16)6-5-7-13(14)17/h5-7,10-11,18H,8-9H2,1-4H3
InChIKeyBZARXIGJYYKPLF-UHFFFAOYSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,6-difluorophenyl)heptan-4-ol
CID 114865715
4-[(2,6-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol
CID 114931192
4-[(2-chloro-3-fluorophenyl)methyl]-2,6-dimethylheptan-4-ol
CID 114865539
2-(2,6-difluorophenyl)hex-5-en-2-ol
CID 104656171
1-(2,6-difluorophenyl)-2,3-dimethylbutan-2-ol
CID 114930978
3-(2,6-difluorophenyl)-3-hydroxy-2-propan-2-ylbutanoic acid
CID 62397035
(4S)-4-amino-4-(2,6-difluorophenyl)-1,1,1-trifluoropentan-2-ol
CID 90308192
5-methyl-3-pyridin-2-ylhexan-3-ol
CID 146396813
4-[3-(3-aminopropyl)phenyl]-2,6-dimethylheptan-4-ol
CID 71229216
2-[(2-chloro-3-fluorophenyl)methyl]-2-(2-methylpropyl)propane-1,3-diol
CID 112654949
(NE)-N-[2-(2,6-difluorophenyl)-2-methylpropylidene]hydroxylamine
CID 170017589
methyl 2-(2,6-difluorophenyl)-2-(2-methylpropylamino)propanoate
CID 54895287

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)-2,6-dimethylheptan-4-ol?
The IUPAC name of 4-(2,6-difluorophenyl)-2,6-dimethylheptan-4-ol (CID 114865092) is 4-(2,6-difluorophenyl)-2,6-dimethylheptan-4-ol.
What is the SMILES notation for 4-(2,6-difluorophenyl)-2,6-dimethylheptan-4-ol?
The canonical SMILES for 4-(2,6-difluorophenyl)-2,6-dimethylheptan-4-ol is CC(C)CC(O)(CC(C)C)c1c(F)cccc1F.
What is the InChIKey of 4-(2,6-difluorophenyl)-2,6-dimethylheptan-4-ol?
The InChIKey is BZARXIGJYYKPLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2O/c1-10(2)8-15(18,9-11(3)4)14-12(16)6-5-7-13(14)17/h5-7,10-11,18H,8-9H2,1-4H3.
What are the key properties of 4-(2,6-difluorophenyl)-2,6-dimethylheptan-4-ol?
4-(2,6-difluorophenyl)-2,6-dimethylheptan-4-ol has a molecular weight of 256.34 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluorophenyl)-2,6-dimethylheptan-4-ol is sourced from PubChem (CID 114865092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).