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

C13H18F2O — CID 114865715

IUPAC4-(2,6-difluorophenyl)heptan-4-ol
SMILESCCCC(O)(CCC)c1c(F)cccc1F
InChIInChI=1S/C13H18F2O/c1-3-8-13(16,9-4-2)12-10(14)6-5-7-11(12)15/h5-7,16H,3-4,8-9H2,1-2H3
InChIKeyVVKJUNGSBXWSQH-UHFFFAOYSA-N
MW228.28 g/mol
LogP3.75
Rot. Bonds5

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

4-(2,6-difluorophenyl)heptan-4-ol (PubChem CID 114865715) has the molecular formula C13H18F2O and a molecular weight of 228.28 g/mol. Its IUPAC name is 4-(2,6-difluorophenyl)heptan-4-ol.

Molecular Properties

Compound Name4-(2,6-difluorophenyl)heptan-4-ol
PubChem CID114865715
Molecular FormulaC13H18F2O
Molecular Weight228.28 g/mol
Exact Mass228.13
IUPAC Name4-(2,6-difluorophenyl)heptan-4-ol
SMILESCCCC(O)(CCC)c1c(F)cccc1F
InChIInChI=1S/C13H18F2O/c1-3-8-13(16,9-4-2)12-10(14)6-5-7-11(12)15/h5-7,16H,3-4,8-9H2,1-2H3
InChIKeyVVKJUNGSBXWSQH-UHFFFAOYSA-N
XLogP3.75
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-bromo-2,6-difluorophenyl)heptan-4-ol
CID 106941520
4-(2,6-difluorophenyl)-2,6-dimethylheptan-4-ol
CID 114865092
1-(2-chloro-3-fluorophenyl)-2-phenylpentan-2-ol
CID 115983354
4-(2,5-difluorophenyl)heptan-4-ol
CID 114866152
2-(2-chloro-6-fluorophenyl)-2-propylpentan-1-amine
CID 63515341
3-(2,6-difluorophenyl)-3-methyl-N-propylbutan-1-amine
CID 81023147
2-(2,6-difluorophenyl)hex-5-en-2-ol
CID 104656171
4-naphthalen-1-ylheptan-4-ol
CID 114866255
1,3-difluoro-2-(2-methyl-3-methylidenepentan-2-yl)benzene
CID 168948597
2-(2-chloro-6-fluorophenyl)-N-methyl-2-propylpentan-1-amine
CID 63516841
2-[4-(2,6-difluorophenyl)-1,1,4,4-tetraphenylbutyl]-1,3-difluorobenzene
CID 90692619
2-(2,6-difluorophenyl)-2-(propylamino)propan-1-ol
CID 61053956

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluorophenyl)heptan-4-ol?
The IUPAC name of 4-(2,6-difluorophenyl)heptan-4-ol (CID 114865715) is 4-(2,6-difluorophenyl)heptan-4-ol.
What is the SMILES notation for 4-(2,6-difluorophenyl)heptan-4-ol?
The canonical SMILES for 4-(2,6-difluorophenyl)heptan-4-ol is CCCC(O)(CCC)c1c(F)cccc1F.
What is the InChIKey of 4-(2,6-difluorophenyl)heptan-4-ol?
The InChIKey is VVKJUNGSBXWSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2O/c1-3-8-13(16,9-4-2)12-10(14)6-5-7-11(12)15/h5-7,16H,3-4,8-9H2,1-2H3.
What are the key properties of 4-(2,6-difluorophenyl)heptan-4-ol?
4-(2,6-difluorophenyl)heptan-4-ol has a molecular weight of 228.28 g/mol, XLogP of 3.75, 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)heptan-4-ol is sourced from PubChem (CID 114865715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).