1-(2,5-difluorophenyl)-3-methylhexan-2-ol

C13H18F2O — CID 63901618

IUPAC1-(2,5-difluorophenyl)-3-methylhexan-2-ol
SMILESCCCC(C)C(O)Cc1cc(F)ccc1F
InChIInChI=1S/C13H18F2O/c1-3-4-9(2)13(16)8-10-7-11(14)5-6-12(10)15/h5-7,9,13,16H,3-4,8H2,1-2H3
InChIKeyDZCRUBOZMQHVOG-UHFFFAOYSA-N
MW228.28 g/mol
LogP3.30
Rot. Bonds5

About 1-(2,5-difluorophenyl)-3-methylhexan-2-ol

1-(2,5-difluorophenyl)-3-methylhexan-2-ol (PubChem CID 63901618) has the molecular formula C13H18F2O and a molecular weight of 228.28 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-3-methylhexan-2-ol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-3-methylhexan-2-ol
PubChem CID63901618
Molecular FormulaC13H18F2O
Molecular Weight228.28 g/mol
Exact Mass228.13
IUPAC Name1-(2,5-difluorophenyl)-3-methylhexan-2-ol
SMILESCCCC(C)C(O)Cc1cc(F)ccc1F
InChIInChI=1S/C13H18F2O/c1-3-4-9(2)13(16)8-10-7-11(14)5-6-12(10)15/h5-7,9,13,16H,3-4,8H2,1-2H3
InChIKeyDZCRUBOZMQHVOG-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,5-difluorophenyl)octan-2-ol
CID 63901614
3-cyclopropyl-1-(2,5-difluorophenyl)butan-2-ol
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1-(2,5-difluorophenyl)-3-phenylbutan-2-ol
CID 63901819
5-(2,5-difluorophenyl)pentane-2,3-diol
CID 83936139
2-(3-chloro-2-methylpentyl)-1,4-difluorobenzene
CID 63559937
1-(2,5-difluorophenyl)pentan-2-ylhydrazine
CID 105202060
1-cyclopropyl-3-(2,5-difluorophenyl)propane-1,2-diol
CID 103456708
2-(3-bromo-2-methylpentyl)-1,4-difluorobenzene
CID 63560139
1-(2,5-difluorophenyl)-3-methylbutane-2,3-diol
CID 103448861
4-(2,5-difluorophenyl)-N-ethyl-2,3-dimethylbutan-1-amine
CID 81016553
2-(2,5-difluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 63893918
1-butan-2-ylsulfanyl-3-(2,5-difluorophenyl)propan-2-ol
CID 65136744

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-3-methylhexan-2-ol?
The IUPAC name of 1-(2,5-difluorophenyl)-3-methylhexan-2-ol (CID 63901618) is 1-(2,5-difluorophenyl)-3-methylhexan-2-ol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-3-methylhexan-2-ol?
The canonical SMILES for 1-(2,5-difluorophenyl)-3-methylhexan-2-ol is CCCC(C)C(O)Cc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-3-methylhexan-2-ol?
The InChIKey is DZCRUBOZMQHVOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2O/c1-3-4-9(2)13(16)8-10-7-11(14)5-6-12(10)15/h5-7,9,13,16H,3-4,8H2,1-2H3.
What are the key properties of 1-(2,5-difluorophenyl)-3-methylhexan-2-ol?
1-(2,5-difluorophenyl)-3-methylhexan-2-ol has a molecular weight of 228.28 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-3-methylhexan-2-ol is sourced from PubChem (CID 63901618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).