(2R)-1-(3-fluorophenyl)pentan-2-ol

C11H15FO — CID 89187255

IUPAC(2R)-1-(3-fluorophenyl)pentan-2-ol
SMILESCCC[C@@H](O)Cc1cccc(F)c1
InChIInChI=1S/C11H15FO/c1-2-4-11(13)8-9-5-3-6-10(12)7-9/h3,5-7,11,13H,2,4,8H2,1H3/t11-/m1/s1
InChIKeyLLDYBXFODXZEPJ-LLVKDONJSA-N
MW182.24 g/mol
LogP2.53
Rot. Bonds4

About (2R)-1-(3-fluorophenyl)pentan-2-ol

(2R)-1-(3-fluorophenyl)pentan-2-ol (PubChem CID 89187255) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is (2R)-1-(3-fluorophenyl)pentan-2-ol.

Molecular Properties

Compound Name(2R)-1-(3-fluorophenyl)pentan-2-ol
PubChem CID89187255
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name(2R)-1-(3-fluorophenyl)pentan-2-ol
SMILESCCC[C@@H](O)Cc1cccc(F)c1
InChIInChI=1S/C11H15FO/c1-2-4-11(13)8-9-5-3-6-10(12)7-9/h3,5-7,11,13H,2,4,8H2,1H3/t11-/m1/s1
InChIKeyLLDYBXFODXZEPJ-LLVKDONJSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-(3-fluorophenyl)pentan-2-ol
CID 143267785
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
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
3-ethyl-1-(3-fluorophenyl)heptan-2-ol
CID 63017524
6-(3-fluorophenyl)hexan-3-ol
CID 64515590
ethane;1-[3-(trifluoromethoxy)phenyl]pentan-2-ol
CID 143267662

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(3-fluorophenyl)pentan-2-ol?
The IUPAC name of (2R)-1-(3-fluorophenyl)pentan-2-ol (CID 89187255) is (2R)-1-(3-fluorophenyl)pentan-2-ol.
What is the SMILES notation for (2R)-1-(3-fluorophenyl)pentan-2-ol?
The canonical SMILES for (2R)-1-(3-fluorophenyl)pentan-2-ol is CCC[C@@H](O)Cc1cccc(F)c1.
What is the InChIKey of (2R)-1-(3-fluorophenyl)pentan-2-ol?
The InChIKey is LLDYBXFODXZEPJ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H15FO/c1-2-4-11(13)8-9-5-3-6-10(12)7-9/h3,5-7,11,13H,2,4,8H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-1-(3-fluorophenyl)pentan-2-ol?
(2R)-1-(3-fluorophenyl)pentan-2-ol has a molecular weight of 182.24 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(3-fluorophenyl)pentan-2-ol is sourced from PubChem (CID 89187255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).