(Z,2R)-2-(3-chloro-5-fluorophenyl)-1,1,1-trifluorohex-4-en-2-ol

C12H11ClF4O — CID 177496147

IUPAC(Z,2R)-2-(3-chloro-5-fluorophenyl)-1,1,1-trifluorohex-4-en-2-ol
SMILESC/C=C\C[C@@](O)(c1cc(F)cc(Cl)c1)C(F)(F)F
InChIInChI=1S/C12H11ClF4O/c1-2-3-4-11(18,12(15,16)17)8-5-9(13)7-10(14)6-8/h2-3,5-7,18H,4H2,1H3/b3-2-/t11-/m1/s1
InChIKeyHXBMFPNRHJNGRX-OTDNITJGSA-N
MW282.66 g/mol
LogP4.20
Rot. Bonds3

About (Z,2R)-2-(3-chloro-5-fluorophenyl)-1,1,1-trifluorohex-4-en-2-ol

(Z,2R)-2-(3-chloro-5-fluorophenyl)-1,1,1-trifluorohex-4-en-2-ol (PubChem CID 177496147) has the molecular formula C12H11ClF4O and a molecular weight of 282.66 g/mol. Its IUPAC name is (Z,2R)-2-(3-chloro-5-fluorophenyl)-1,1,1-trifluorohex-4-en-2-ol.

Molecular Properties

Compound Name(Z,2R)-2-(3-chloro-5-fluorophenyl)-1,1,1-trifluorohex-4-en-2-ol
PubChem CID177496147
Molecular FormulaC12H11ClF4O
Molecular Weight282.66 g/mol
Exact Mass282.04
IUPAC Name(Z,2R)-2-(3-chloro-5-fluorophenyl)-1,1,1-trifluorohex-4-en-2-ol
SMILESC/C=C\C[C@@](O)(c1cc(F)cc(Cl)c1)C(F)(F)F
InChIInChI=1S/C12H11ClF4O/c1-2-3-4-11(18,12(15,16)17)8-5-9(13)7-10(14)6-8/h2-3,5-7,18H,4H2,1H3/b3-2-/t11-/m1/s1
InChIKeyHXBMFPNRHJNGRX-OTDNITJGSA-N
XLogP4.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.66
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,2R)-2-(3-chloro-5-fluorophenyl)-1,1,1-trifluorohex-4-en-2-ol?
The IUPAC name of (Z,2R)-2-(3-chloro-5-fluorophenyl)-1,1,1-trifluorohex-4-en-2-ol (CID 177496147) is (Z,2R)-2-(3-chloro-5-fluorophenyl)-1,1,1-trifluorohex-4-en-2-ol.
What is the SMILES notation for (Z,2R)-2-(3-chloro-5-fluorophenyl)-1,1,1-trifluorohex-4-en-2-ol?
The canonical SMILES for (Z,2R)-2-(3-chloro-5-fluorophenyl)-1,1,1-trifluorohex-4-en-2-ol is C/C=C\C[C@@](O)(c1cc(F)cc(Cl)c1)C(F)(F)F.
What is the InChIKey of (Z,2R)-2-(3-chloro-5-fluorophenyl)-1,1,1-trifluorohex-4-en-2-ol?
The InChIKey is HXBMFPNRHJNGRX-OTDNITJGSA-N. The full InChI is InChI=1S/C12H11ClF4O/c1-2-3-4-11(18,12(15,16)17)8-5-9(13)7-10(14)6-8/h2-3,5-7,18H,4H2,1H3/b3-2-/t11-/m1/s1.
What are the key properties of (Z,2R)-2-(3-chloro-5-fluorophenyl)-1,1,1-trifluorohex-4-en-2-ol?
(Z,2R)-2-(3-chloro-5-fluorophenyl)-1,1,1-trifluorohex-4-en-2-ol has a molecular weight of 282.66 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R)-2-(3-chloro-5-fluorophenyl)-1,1,1-trifluorohex-4-en-2-ol is sourced from PubChem (CID 177496147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).