1-(2-fluorophenyl)-2-methylhexan-2-ol

C13H19FO — CID 114832673

IUPAC1-(2-fluorophenyl)-2-methylhexan-2-ol
SMILESCCCCC(C)(O)Cc1ccccc1F
InChIInChI=1S/C13H19FO/c1-3-4-9-13(2,15)10-11-7-5-6-8-12(11)14/h5-8,15H,3-4,9-10H2,1-2H3
InChIKeyAGPQLMNVZDALKW-UHFFFAOYSA-N
MW210.29 g/mol
LogP3.31
Rot. Bonds5

About 1-(2-fluorophenyl)-2-methylhexan-2-ol

1-(2-fluorophenyl)-2-methylhexan-2-ol (PubChem CID 114832673) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-methylhexan-2-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-methylhexan-2-ol
PubChem CID114832673
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name1-(2-fluorophenyl)-2-methylhexan-2-ol
SMILESCCCCC(C)(O)Cc1ccccc1F
InChIInChI=1S/C13H19FO/c1-3-4-9-13(2,15)10-11-7-5-6-8-12(11)14/h5-8,15H,3-4,9-10H2,1-2H3
InChIKeyAGPQLMNVZDALKW-UHFFFAOYSA-N
XLogP3.31
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,3-difluorophenyl)-2-methylheptan-2-ol
CID 80557812
1-(2-chloro-3-fluorophenyl)-2-methylheptan-2-ol
CID 112653134
1-(2-fluorophenyl)-2-methylhex-5-yn-2-ol
CID 114832660
1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol
CID 114832697
1-(2-fluorophenyl)-2-methyloctan-2-amine
CID 114833613
1-(2-fluorophenyl)-2-methyldecan-2-amine
CID 114833515
N-tert-butyl-2-ethyl-2-[(2-fluorophenyl)methyl]hexan-1-amine
CID 63508094
3-ethyl-1-(2-fluorophenyl)-2-methylpentan-2-ol
CID 114832904
1-(2,3-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 107307675
1-(2,6-dichlorophenyl)-3-(2-fluorophenyl)-2-methylpropan-2-ol
CID 114832731
1-(2-chloro-3-fluorophenyl)-6,6,6-trifluoro-2-methylhexan-2-ol
CID 116535931
2-(2-fluorophenyl)nonan-2-ol
CID 65144891

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-methylhexan-2-ol?
The IUPAC name of 1-(2-fluorophenyl)-2-methylhexan-2-ol (CID 114832673) is 1-(2-fluorophenyl)-2-methylhexan-2-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-2-methylhexan-2-ol?
The canonical SMILES for 1-(2-fluorophenyl)-2-methylhexan-2-ol is CCCCC(C)(O)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-methylhexan-2-ol?
The InChIKey is AGPQLMNVZDALKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO/c1-3-4-9-13(2,15)10-11-7-5-6-8-12(11)14/h5-8,15H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-2-methylhexan-2-ol?
1-(2-fluorophenyl)-2-methylhexan-2-ol has a molecular weight of 210.29 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-methylhexan-2-ol is sourced from PubChem (CID 114832673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).