(2R)-2-(4-bromophenyl)-1,1,1-trifluoropent-4-en-2-ol

C11H10BrF3O — CID 118988119

IUPAC(2R)-2-(4-bromophenyl)-1,1,1-trifluoropent-4-en-2-ol
SMILESC=CC[C@@](O)(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C11H10BrF3O/c1-2-7-10(16,11(13,14)15)8-3-5-9(12)6-4-8/h2-6,16H,1,7H2/t10-/m1/s1
InChIKeyYULUGZZXANDBLN-SNVBAGLBSA-N
MW295.10 g/mol
LogP3.78
Rot. Bonds3

About (2R)-2-(4-bromophenyl)-1,1,1-trifluoropent-4-en-2-ol

(2R)-2-(4-bromophenyl)-1,1,1-trifluoropent-4-en-2-ol (PubChem CID 118988119) has the molecular formula C11H10BrF3O and a molecular weight of 295.10 g/mol. Its IUPAC name is (2R)-2-(4-bromophenyl)-1,1,1-trifluoropent-4-en-2-ol.

Molecular Properties

Compound Name(2R)-2-(4-bromophenyl)-1,1,1-trifluoropent-4-en-2-ol
PubChem CID118988119
Molecular FormulaC11H10BrF3O
Molecular Weight295.10 g/mol
Exact Mass293.99
IUPAC Name(2R)-2-(4-bromophenyl)-1,1,1-trifluoropent-4-en-2-ol
SMILESC=CC[C@@](O)(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C11H10BrF3O/c1-2-7-10(16,11(13,14)15)8-3-5-9(12)6-4-8/h2-6,16H,1,7H2/t10-/m1/s1
InChIKeyYULUGZZXANDBLN-SNVBAGLBSA-N
XLogP3.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.10
LogP ≤ 53.78
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 (2R)-2-(4-bromophenyl)-1,1,1-trifluoropent-4-en-2-ol?
The IUPAC name of (2R)-2-(4-bromophenyl)-1,1,1-trifluoropent-4-en-2-ol (CID 118988119) is (2R)-2-(4-bromophenyl)-1,1,1-trifluoropent-4-en-2-ol.
What is the SMILES notation for (2R)-2-(4-bromophenyl)-1,1,1-trifluoropent-4-en-2-ol?
The canonical SMILES for (2R)-2-(4-bromophenyl)-1,1,1-trifluoropent-4-en-2-ol is C=CC[C@@](O)(c1ccc(Br)cc1)C(F)(F)F.
What is the InChIKey of (2R)-2-(4-bromophenyl)-1,1,1-trifluoropent-4-en-2-ol?
The InChIKey is YULUGZZXANDBLN-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H10BrF3O/c1-2-7-10(16,11(13,14)15)8-3-5-9(12)6-4-8/h2-6,16H,1,7H2/t10-/m1/s1.
What are the key properties of (2R)-2-(4-bromophenyl)-1,1,1-trifluoropent-4-en-2-ol?
(2R)-2-(4-bromophenyl)-1,1,1-trifluoropent-4-en-2-ol has a molecular weight of 295.10 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-bromophenyl)-1,1,1-trifluoropent-4-en-2-ol is sourced from PubChem (CID 118988119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).