4-[(3,5-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol

C16H24F2O — CID 105402823

IUPAC4-[(3,5-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol
SMILESCC(C)CC(O)(Cc1cc(F)cc(F)c1)CC(C)C
InChIInChI=1S/C16H24F2O/c1-11(2)8-16(19,9-12(3)4)10-13-5-14(17)7-15(18)6-13/h5-7,11-12,19H,8-10H2,1-4H3
InChIKeyMYGIAFTYOYPEKR-UHFFFAOYSA-N
MW270.36 g/mol
LogP4.33
Rot. Bonds6

About 4-[(3,5-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol

4-[(3,5-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol (PubChem CID 105402823) has the molecular formula C16H24F2O and a molecular weight of 270.36 g/mol. Its IUPAC name is 4-[(3,5-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol.

Molecular Properties

Compound Name4-[(3,5-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol
PubChem CID105402823
Molecular FormulaC16H24F2O
Molecular Weight270.36 g/mol
Exact Mass270.18
IUPAC Name4-[(3,5-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol
SMILESCC(C)CC(O)(Cc1cc(F)cc(F)c1)CC(C)C
InChIInChI=1S/C16H24F2O/c1-11(2)8-16(19,9-12(3)4)10-13-5-14(17)7-15(18)6-13/h5-7,11-12,19H,8-10H2,1-4H3
InChIKeyMYGIAFTYOYPEKR-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-[(3-bromo-5-fluorophenyl)methyl]-2,6-dimethylheptan-4-ol
CID 114865491
4-[(4-fluoro-2-methylphenyl)methyl]-2,6-dimethylheptan-4-ol
CID 114865108
4-[(2,6-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol
CID 114931192
2,2-dimethylpropylbenzene;1-(2,2-dimethylpropyl)-3,5-difluorobenzene;1-(2,2-dimethylpropyl)-3-fluorobenzene;2,2,4-trimethylpentane
CID 159544928
1-(3,5-difluorophenyl)-2-methylpropan-2-amine
CID 22063501
3-benzyl-5-methylhexan-3-ol
CID 79008448
1-(3,5-difluorophenyl)-2-(4-methylphenyl)propan-2-ol
CID 105402436
1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 60798491
1-(3,5-difluorophenyl)-2-methylpentan-3-ol
CID 105407726
1-[3-bromo-2-(bromomethyl)-2-methylpropyl]-3,5-difluorobenzene
CID 105411138
4-[(2-chloro-3-fluorophenyl)methyl]-2,6-dimethylheptan-4-ol
CID 114865539
[1-(3,5-difluorophenyl)-2-methylpropan-2-yl] 2-aminopropanoate
CID 118878537

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol?
The IUPAC name of 4-[(3,5-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol (CID 105402823) is 4-[(3,5-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol.
What is the SMILES notation for 4-[(3,5-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol?
The canonical SMILES for 4-[(3,5-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol is CC(C)CC(O)(Cc1cc(F)cc(F)c1)CC(C)C.
What is the InChIKey of 4-[(3,5-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol?
The InChIKey is MYGIAFTYOYPEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2O/c1-11(2)8-16(19,9-12(3)4)10-13-5-14(17)7-15(18)6-13/h5-7,11-12,19H,8-10H2,1-4H3.
What are the key properties of 4-[(3,5-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol?
4-[(3,5-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-[(3,5-difluorophenyl)methyl]-2,6-dimethylheptan-4-ol is sourced from PubChem (CID 105402823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).