ethane;1-(3-fluorophenyl)pentan-2-ol

C13H21FO — CID 143267785

IUPACethane;1-(3-fluorophenyl)pentan-2-ol
SMILESCC.CCCC(O)Cc1cccc(F)c1
InChIInChI=1S/C11H15FO.C2H6/c1-2-4-11(13)8-9-5-3-6-10(12)7-9;1-2/h3,5-7,11,13H,2,4,8H2,1H3;1-2H3
InChIKeyHJNJKMBXGMZEBM-UHFFFAOYSA-N
MW212.31 g/mol
LogP3.56
Rot. Bonds4

About ethane;1-(3-fluorophenyl)pentan-2-ol

ethane;1-(3-fluorophenyl)pentan-2-ol (PubChem CID 143267785) has the molecular formula C13H21FO and a molecular weight of 212.31 g/mol. Its IUPAC name is ethane;1-(3-fluorophenyl)pentan-2-ol.

Molecular Properties

Compound Nameethane;1-(3-fluorophenyl)pentan-2-ol
PubChem CID143267785
Molecular FormulaC13H21FO
Molecular Weight212.31 g/mol
Exact Mass212.16
IUPAC Nameethane;1-(3-fluorophenyl)pentan-2-ol
SMILESCC.CCCC(O)Cc1cccc(F)c1
InChIInChI=1S/C11H15FO.C2H6/c1-2-4-11(13)8-9-5-3-6-10(12)7-9;1-2/h3,5-7,11,13H,2,4,8H2,1H3;1-2H3
InChIKeyHJNJKMBXGMZEBM-UHFFFAOYSA-N
XLogP3.56
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-1-(3-fluorophenyl)pentan-2-ol
CID 89187255
1-(3-fluorophenyl)-4-methoxybutan-2-ol
CID 61412399
5-ethylsulfonyl-1-(3-fluorophenyl)pentan-2-ol
CID 65095282
1-(3-fluorophenyl)-5-methoxyhexan-2-ol
CID 105078984
1-(3-fluorophenyl)-3-(4-fluorophenyl)propan-2-ol
CID 60798027
ethane;1-[3-(trifluoromethoxy)phenyl]pentan-2-ol
CID 143267662
1-(3-fluorophenyl)-4-(2-methylphenyl)butan-2-ol
CID 55149163
1-(3-methoxyphenyl)pentan-2-ol
CID 61261615
1-[2-(chloromethyl)pentyl]-3-fluorobenzene
CID 66034090
(2S)-1-[3-(fluoromethoxy)phenyl]pentan-2-ol
CID 71163703
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473
3-ethyl-1-(3-fluorophenyl)heptan-2-ol
CID 63017524

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-fluorophenyl)pentan-2-ol?
The IUPAC name of ethane;1-(3-fluorophenyl)pentan-2-ol (CID 143267785) is ethane;1-(3-fluorophenyl)pentan-2-ol.
What is the SMILES notation for ethane;1-(3-fluorophenyl)pentan-2-ol?
The canonical SMILES for ethane;1-(3-fluorophenyl)pentan-2-ol is CC.CCCC(O)Cc1cccc(F)c1.
What is the InChIKey of ethane;1-(3-fluorophenyl)pentan-2-ol?
The InChIKey is HJNJKMBXGMZEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO.C2H6/c1-2-4-11(13)8-9-5-3-6-10(12)7-9;1-2/h3,5-7,11,13H,2,4,8H2,1H3;1-2H3.
What are the key properties of ethane;1-(3-fluorophenyl)pentan-2-ol?
ethane;1-(3-fluorophenyl)pentan-2-ol has a molecular weight of 212.31 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-fluorophenyl)pentan-2-ol is sourced from PubChem (CID 143267785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).