2-(3-fluorophenyl)-3-methylhexan-1-ol

C13H19FO — CID 107894996

IUPAC2-(3-fluorophenyl)-3-methylhexan-1-ol
SMILESCCCC(C)C(CO)c1cccc(F)c1
InChIInChI=1S/C13H19FO/c1-3-5-10(2)13(9-15)11-6-4-7-12(14)8-11/h4,6-8,10,13,15H,3,5,9H2,1-2H3
InChIKeyBBIJGEHSCQIJMD-UHFFFAOYSA-N
MW210.29 g/mol
LogP3.34
Rot. Bonds5

About 2-(3-fluorophenyl)-3-methylhexan-1-ol

2-(3-fluorophenyl)-3-methylhexan-1-ol (PubChem CID 107894996) has the molecular formula C13H19FO and a molecular weight of 210.29 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-3-methylhexan-1-ol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-3-methylhexan-1-ol
PubChem CID107894996
Molecular FormulaC13H19FO
Molecular Weight210.29 g/mol
Exact Mass210.14
IUPAC Name2-(3-fluorophenyl)-3-methylhexan-1-ol
SMILESCCCC(C)C(CO)c1cccc(F)c1
InChIInChI=1S/C13H19FO/c1-3-5-10(2)13(9-15)11-6-4-7-12(14)8-11/h4,6-8,10,13,15H,3,5,9H2,1-2H3
InChIKeyBBIJGEHSCQIJMD-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-amino-2-(3-fluorophenyl)hexan-3-ol
CID 65190033
1-fluoro-3-(2-methylpentan-3-yl)benzene
CID 20795498
(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
1-(3-fluorophenyl)butan-1-amine;hydrochloride
CID 86262882
1-(3-fluorophenyl)hexan-1-ol
CID 62607026
N-chloro-3-(3-fluorophenyl)-4-methylpentan-1-amine
CID 154525858
2-(3-fluorophenyl)-N,3-dimethylpentan-1-amine
CID 79446365
methyl N-[(4R,5S)-4-(3-fluorophenyl)-5-methylnonyl]carbamate
CID 143486973
3-(3-fluorophenyl)-N-methylpentan-2-amine
CID 114873130
1-amino-2-(3-fluorophenyl)-5-methylheptan-3-ol
CID 114877285
N-ethyl-2-(3-fluorophenyl)hexan-3-amine
CID 83051952
1-(1-bromopropyl)-3-fluorobenzene
CID 70101936

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-3-methylhexan-1-ol?
The IUPAC name of 2-(3-fluorophenyl)-3-methylhexan-1-ol (CID 107894996) is 2-(3-fluorophenyl)-3-methylhexan-1-ol.
What is the SMILES notation for 2-(3-fluorophenyl)-3-methylhexan-1-ol?
The canonical SMILES for 2-(3-fluorophenyl)-3-methylhexan-1-ol is CCCC(C)C(CO)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-3-methylhexan-1-ol?
The InChIKey is BBIJGEHSCQIJMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FO/c1-3-5-10(2)13(9-15)11-6-4-7-12(14)8-11/h4,6-8,10,13,15H,3,5,9H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-3-methylhexan-1-ol?
2-(3-fluorophenyl)-3-methylhexan-1-ol has a molecular weight of 210.29 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-3-methylhexan-1-ol is sourced from PubChem (CID 107894996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).