4-(2,5-difluorophenyl)heptan-4-ol

C13H18F2O — CID 114866152

IUPAC4-(2,5-difluorophenyl)heptan-4-ol
SMILESCCCC(O)(CCC)c1cc(F)ccc1F
InChIInChI=1S/C13H18F2O/c1-3-7-13(16,8-4-2)11-9-10(14)5-6-12(11)15/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyOUNZQQPRWBIVDD-UHFFFAOYSA-N
MW228.28 g/mol
LogP3.75
Rot. Bonds5

About 4-(2,5-difluorophenyl)heptan-4-ol

4-(2,5-difluorophenyl)heptan-4-ol (PubChem CID 114866152) has the molecular formula C13H18F2O and a molecular weight of 228.28 g/mol. Its IUPAC name is 4-(2,5-difluorophenyl)heptan-4-ol.

Molecular Properties

Compound Name4-(2,5-difluorophenyl)heptan-4-ol
PubChem CID114866152
Molecular FormulaC13H18F2O
Molecular Weight228.28 g/mol
Exact Mass228.13
IUPAC Name4-(2,5-difluorophenyl)heptan-4-ol
SMILESCCCC(O)(CCC)c1cc(F)ccc1F
InChIInChI=1S/C13H18F2O/c1-3-7-13(16,8-4-2)11-9-10(14)5-6-12(11)15/h5-6,9,16H,3-4,7-8H2,1-2H3
InChIKeyOUNZQQPRWBIVDD-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

2-(2,5-difluorophenyl)-2-fluoropentan-1-amine
CID 112567838
2-(2,5-difluorophenyl)-3,3-dimethylbutan-2-ol
CID 115401141
1-amino-2-(2,5-difluorophenyl)propan-2-ol
CID 62773185
4-fluoro-2-(2-methylpentan-2-yl)phenol
CID 87577772
2-[2-(2,5-difluorophenyl)propan-2-yl]-1,4-difluorobenzene
CID 90465421
3-(2,5-difluorophenyl)-3-hydroxy-5-methylhexanoic acid
CID 82049628
2,4-difluoro-1-(2-methylpentan-2-yl)benzene
CID 126704363
2-(2,5-difluorophenyl)-2-fluoropropan-1-ol
CID 105425213
3-(2-chloro-5-fluorophenyl)pentan-3-ol
CID 105393736
1-(4-chlorophenyl)sulfonyl-1-(2,5-difluorophenyl)pentan-1-ol
CID 91524933
4-(2,6-difluorophenyl)heptan-4-ol
CID 114865715
2-(2,5-difluorophenyl)-2-methylbutanoyl chloride
CID 117047827

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-difluorophenyl)heptan-4-ol?
The IUPAC name of 4-(2,5-difluorophenyl)heptan-4-ol (CID 114866152) is 4-(2,5-difluorophenyl)heptan-4-ol.
What is the SMILES notation for 4-(2,5-difluorophenyl)heptan-4-ol?
The canonical SMILES for 4-(2,5-difluorophenyl)heptan-4-ol is CCCC(O)(CCC)c1cc(F)ccc1F.
What is the InChIKey of 4-(2,5-difluorophenyl)heptan-4-ol?
The InChIKey is OUNZQQPRWBIVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2O/c1-3-7-13(16,8-4-2)11-9-10(14)5-6-12(11)15/h5-6,9,16H,3-4,7-8H2,1-2H3.
What are the key properties of 4-(2,5-difluorophenyl)heptan-4-ol?
4-(2,5-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-(2,5-difluorophenyl)heptan-4-ol is sourced from PubChem (CID 114866152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).