3-ethyl-1-(2-fluorophenyl)-2-methylpentan-2-ol

C14H21FO — CID 114832904

IUPAC3-ethyl-1-(2-fluorophenyl)-2-methylpentan-2-ol
SMILESCCC(CC)C(C)(O)Cc1ccccc1F
InChIInChI=1S/C14H21FO/c1-4-12(5-2)14(3,16)10-11-8-6-7-9-13(11)15/h6-9,12,16H,4-5,10H2,1-3H3
InChIKeyMTMJVDOAONCWHS-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.56
Rot. Bonds5

About 3-ethyl-1-(2-fluorophenyl)-2-methylpentan-2-ol

3-ethyl-1-(2-fluorophenyl)-2-methylpentan-2-ol (PubChem CID 114832904) has the molecular formula C14H21FO and a molecular weight of 224.32 g/mol. Its IUPAC name is 3-ethyl-1-(2-fluorophenyl)-2-methylpentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-(2-fluorophenyl)-2-methylpentan-2-ol
PubChem CID114832904
Molecular FormulaC14H21FO
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Name3-ethyl-1-(2-fluorophenyl)-2-methylpentan-2-ol
SMILESCCC(CC)C(C)(O)Cc1ccccc1F
InChIInChI=1S/C14H21FO/c1-4-12(5-2)14(3,16)10-11-8-6-7-9-13(11)15/h6-9,12,16H,4-5,10H2,1-3H3
InChIKeyMTMJVDOAONCWHS-UHFFFAOYSA-N
XLogP3.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 2-ethyl-4-(2-fluorophenyl)-3-hydroxy-3-methylbutanoate
CID 114834429
2-[1-(2-fluorophenyl)-2-hydroxypropan-2-yl]pentanenitrile
CID 114834992
1-(2,3-difluorophenyl)-2,3-dimethylpentan-2-ol
CID 65146702
1-(2-fluorophenyl)-2-methylhexan-2-ol
CID 114832673
1-(2-fluorophenyl)-2-methyl-3-(2-methylphenyl)propan-2-ol
CID 114832697
3-(aminomethyl)-1-(2-fluorophenyl)-2,3-dimethylpentan-2-ol
CID 114835046
1-(2-fluorophenyl)-2-methylpropan-2-amine;hydrochloride
CID 70701058
2-ethyl-2-[(2-fluorophenyl)methyl]butan-1-ol
CID 66058091
2-(butan-2-ylamino)-3-(2-fluorophenyl)-2-methylpropanamide
CID 114831966
2-(2,4-dichloro-5-fluorophenyl)-1-(2-fluorophenyl)propan-2-ol
CID 63406675
3-(2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 62739574
2-(3,4-difluorophenyl)-1-(2-fluorophenyl)propan-2-ol
CID 114832741

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-fluorophenyl)-2-methylpentan-2-ol?
The IUPAC name of 3-ethyl-1-(2-fluorophenyl)-2-methylpentan-2-ol (CID 114832904) is 3-ethyl-1-(2-fluorophenyl)-2-methylpentan-2-ol.
What is the SMILES notation for 3-ethyl-1-(2-fluorophenyl)-2-methylpentan-2-ol?
The canonical SMILES for 3-ethyl-1-(2-fluorophenyl)-2-methylpentan-2-ol is CCC(CC)C(C)(O)Cc1ccccc1F.
What is the InChIKey of 3-ethyl-1-(2-fluorophenyl)-2-methylpentan-2-ol?
The InChIKey is MTMJVDOAONCWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO/c1-4-12(5-2)14(3,16)10-11-8-6-7-9-13(11)15/h6-9,12,16H,4-5,10H2,1-3H3.
What are the key properties of 3-ethyl-1-(2-fluorophenyl)-2-methylpentan-2-ol?
3-ethyl-1-(2-fluorophenyl)-2-methylpentan-2-ol has a molecular weight of 224.32 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-fluorophenyl)-2-methylpentan-2-ol is sourced from PubChem (CID 114832904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).