(2S)-2-(3,5-dichlorophenyl)-1,1,1-trifluoropent-4-en-2-ol

C11H9Cl2F3O — CID 118988141

IUPAC(2S)-2-(3,5-dichlorophenyl)-1,1,1-trifluoropent-4-en-2-ol
SMILESC=CC[C@](O)(c1cc(Cl)cc(Cl)c1)C(F)(F)F
InChIInChI=1S/C11H9Cl2F3O/c1-2-3-10(17,11(14,15)16)7-4-8(12)6-9(13)5-7/h2,4-6,17H,1,3H2/t10-/m0/s1
InChIKeyGMFNEITXHYHTDD-JTQLQIEISA-N
MW285.09 g/mol
LogP4.32
Rot. Bonds3

About (2S)-2-(3,5-dichlorophenyl)-1,1,1-trifluoropent-4-en-2-ol

(2S)-2-(3,5-dichlorophenyl)-1,1,1-trifluoropent-4-en-2-ol (PubChem CID 118988141) has the molecular formula C11H9Cl2F3O and a molecular weight of 285.09 g/mol. Its IUPAC name is (2S)-2-(3,5-dichlorophenyl)-1,1,1-trifluoropent-4-en-2-ol.

Molecular Properties

Compound Name(2S)-2-(3,5-dichlorophenyl)-1,1,1-trifluoropent-4-en-2-ol
PubChem CID118988141
Molecular FormulaC11H9Cl2F3O
Molecular Weight285.09 g/mol
Exact Mass284.00
IUPAC Name(2S)-2-(3,5-dichlorophenyl)-1,1,1-trifluoropent-4-en-2-ol
SMILESC=CC[C@](O)(c1cc(Cl)cc(Cl)c1)C(F)(F)F
InChIInChI=1S/C11H9Cl2F3O/c1-2-3-10(17,11(14,15)16)7-4-8(12)6-9(13)5-7/h2,4-6,17H,1,3H2/t10-/m0/s1
InChIKeyGMFNEITXHYHTDD-JTQLQIEISA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.09
LogP ≤ 54.32
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

2-(3,5-dichlorophenyl)-1,1,1-trifluorobutan-2-ol
CID 83950177
2-(4-bromophenyl)-1,1,1-trifluoropent-4-en-2-ol
CID 121006575
1,3-dichloro-5-(1,1,1-trifluoro-2-methoxypent-4-en-2-yl)benzene
CID 90860249
(Z,2R)-2-(3-chloro-5-fluorophenyl)-1,1,1-trifluorohex-4-en-2-ol
CID 177496147
1,1,1-trifluoro-2-(furan-2-yl)pent-4-en-2-ol
CID 162772868
(3S)-3-(3,5-dichlorophenyl)-4,4,4-trifluoro-3-hydroxy-1-[4-(trifluoromethyl)phenyl]butan-1-one
CID 122213441
(2S)-2-(3,5-dichlorophenyl)-1,1,1-trifluorobut-3-yn-2-ol
CID 89415630
1-chloro-4-(2-fluoropent-4-en-2-yl)benzene
CID 86040182
(3R,4R)-3-(3,5-dichlorophenyl)-7,7,7-trifluoro-3-methylhept-1-en-4-ol
CID 122224679
3-(3,5-dichlorophenyl)-4,4,4-trifluoro-3-hydroxy-1-(3-methylphenyl)butan-1-one
CID 167432310
2-(4-chlorophenyl)pent-4-ene-1,2-diol
CID 10512745
3-(3,5-dichlorophenyl)-4,4,4-trifluoro-1-(3-fluoro-4-methylphenyl)-3-hydroxybutan-1-one
CID 87552341

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dichlorophenyl)-1,1,1-trifluoropent-4-en-2-ol?
The IUPAC name of (2S)-2-(3,5-dichlorophenyl)-1,1,1-trifluoropent-4-en-2-ol (CID 118988141) is (2S)-2-(3,5-dichlorophenyl)-1,1,1-trifluoropent-4-en-2-ol.
What is the SMILES notation for (2S)-2-(3,5-dichlorophenyl)-1,1,1-trifluoropent-4-en-2-ol?
The canonical SMILES for (2S)-2-(3,5-dichlorophenyl)-1,1,1-trifluoropent-4-en-2-ol is C=CC[C@](O)(c1cc(Cl)cc(Cl)c1)C(F)(F)F.
What is the InChIKey of (2S)-2-(3,5-dichlorophenyl)-1,1,1-trifluoropent-4-en-2-ol?
The InChIKey is GMFNEITXHYHTDD-JTQLQIEISA-N. The full InChI is InChI=1S/C11H9Cl2F3O/c1-2-3-10(17,11(14,15)16)7-4-8(12)6-9(13)5-7/h2,4-6,17H,1,3H2/t10-/m0/s1.
What are the key properties of (2S)-2-(3,5-dichlorophenyl)-1,1,1-trifluoropent-4-en-2-ol?
(2S)-2-(3,5-dichlorophenyl)-1,1,1-trifluoropent-4-en-2-ol has a molecular weight of 285.09 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dichlorophenyl)-1,1,1-trifluoropent-4-en-2-ol is sourced from PubChem (CID 118988141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).