(2S,3R)-3-(2-fluorophenyl)pent-4-en-2-ol

C11H13FO — CID 134968528

IUPAC(2S,3R)-3-(2-fluorophenyl)pent-4-en-2-ol
SMILESC=C[C@H](c1ccccc1F)[C@H](C)O
InChIInChI=1S/C11H13FO/c1-3-9(8(2)13)10-6-4-5-7-11(10)12/h3-9,13H,1H2,2H3/t8-,9-/m0/s1
InChIKeyUOGVZNMKZYKCIW-IUCAKERBSA-N
MW180.22 g/mol
LogP2.48
Rot. Bonds3

About (2S,3R)-3-(2-fluorophenyl)pent-4-en-2-ol

(2S,3R)-3-(2-fluorophenyl)pent-4-en-2-ol (PubChem CID 134968528) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is (2S,3R)-3-(2-fluorophenyl)pent-4-en-2-ol.

Molecular Properties

Compound Name(2S,3R)-3-(2-fluorophenyl)pent-4-en-2-ol
PubChem CID134968528
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name(2S,3R)-3-(2-fluorophenyl)pent-4-en-2-ol
SMILESC=C[C@H](c1ccccc1F)[C@H](C)O
InChIInChI=1S/C11H13FO/c1-3-9(8(2)13)10-6-4-5-7-11(10)12/h3-9,13H,1H2,2H3/t8-,9-/m0/s1
InChIKeyUOGVZNMKZYKCIW-IUCAKERBSA-N
XLogP2.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 66633990
(1R,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 130128160
1-fluoro-1-(2-fluorophenyl)propan-2-ol
CID 105435040
1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene
CID 138464950
bis(2-fluorophenyl)methanol
CID 18424663
1-[(2S)-1,1-difluoropropan-2-yl]-2-fluorobenzene
CID 126565772
2-(4-methylpent-1-en-3-yl)phenol
CID 15879996
(2R,3R)-2-fluoro-3-(2-fluorophenyl)butanal
CID 141407367
ethenyl-(2-fluorophenoxy)-dihydroxyphosphanium
CID 151790243
1-(2-fluorophenyl)-2-methyl-2-phenylpropan-1-ol
CID 55180552
1-[[(1R)-1-(2-fluorophenyl)ethyl]amino]butan-2-ol
CID 81379720
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-(2-fluorophenyl)pent-4-en-2-ol?
The IUPAC name of (2S,3R)-3-(2-fluorophenyl)pent-4-en-2-ol (CID 134968528) is (2S,3R)-3-(2-fluorophenyl)pent-4-en-2-ol.
What is the SMILES notation for (2S,3R)-3-(2-fluorophenyl)pent-4-en-2-ol?
The canonical SMILES for (2S,3R)-3-(2-fluorophenyl)pent-4-en-2-ol is C=C[C@H](c1ccccc1F)[C@H](C)O.
What is the InChIKey of (2S,3R)-3-(2-fluorophenyl)pent-4-en-2-ol?
The InChIKey is UOGVZNMKZYKCIW-IUCAKERBSA-N. The full InChI is InChI=1S/C11H13FO/c1-3-9(8(2)13)10-6-4-5-7-11(10)12/h3-9,13H,1H2,2H3/t8-,9-/m0/s1.
What are the key properties of (2S,3R)-3-(2-fluorophenyl)pent-4-en-2-ol?
(2S,3R)-3-(2-fluorophenyl)pent-4-en-2-ol has a molecular weight of 180.22 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-(2-fluorophenyl)pent-4-en-2-ol is sourced from PubChem (CID 134968528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).