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

C11H10BrF3O — CID 121006575

IUPAC2-(4-bromophenyl)-1,1,1-trifluoropent-4-en-2-ol
SMILESC=CCC(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
InChIKeyYULUGZZXANDBLN-UHFFFAOYSA-N
MW295.10 g/mol
LogP3.78
Rot. Bonds3

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

2-(4-bromophenyl)-1,1,1-trifluoropent-4-en-2-ol (PubChem CID 121006575) has the molecular formula C11H10BrF3O and a molecular weight of 295.10 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1,1,1-trifluoropent-4-en-2-ol.

Molecular Properties

Compound Name2-(4-bromophenyl)-1,1,1-trifluoropent-4-en-2-ol
PubChem CID121006575
Molecular FormulaC11H10BrF3O
Molecular Weight295.10 g/mol
Exact Mass293.99
IUPAC Name2-(4-bromophenyl)-1,1,1-trifluoropent-4-en-2-ol
SMILESC=CCC(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
InChIKeyYULUGZZXANDBLN-UHFFFAOYSA-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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Related Compounds

2-(4-bromophenyl)-3,3,3-trifluoropropane-1,2-diol
CID 66582585
2-(4-bromophenyl)-3,3,3-trifluoropropane-1,2-diol;osmium
CID 160846358
(2S)-2-(3,5-dichlorophenyl)-1,1,1-trifluoropent-4-en-2-ol
CID 118988141
2-(4-bromophenyl)-1,1,1-trifluorobut-3-en-2-ol
CID 170770730
1,1,1-trifluoro-2-(furan-2-yl)pent-4-en-2-ol
CID 162772868
1-bromo-4-[(3S)-3-methylhexa-1,5-dien-3-yl]benzene
CID 138969388
1-bromo-4-(1,1-difluoroprop-2-enyl)benzene
CID 125480479
(1S)-1-(4-bromophenyl)-2,2,2-trifluoro-1-iodoethanol
CID 68607834
(2R)-2-(4-bromophenyl)-2-ethylpent-4-enal
CID 138970188
1-bromo-4-[4-[[4-[4-(trifluoromethyl)phenyl]phenoxy]methyl]hepta-1,6-dien-4-yl]benzene
CID 67485715
(2S)-2-(4-bromophenyl)-2-propan-2-ylpent-4-enal
CID 134956868
1-phenyl-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 15527575

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1,1,1-trifluoropent-4-en-2-ol?
The IUPAC name of 2-(4-bromophenyl)-1,1,1-trifluoropent-4-en-2-ol (CID 121006575) is 2-(4-bromophenyl)-1,1,1-trifluoropent-4-en-2-ol.
What is the SMILES notation for 2-(4-bromophenyl)-1,1,1-trifluoropent-4-en-2-ol?
The canonical SMILES for 2-(4-bromophenyl)-1,1,1-trifluoropent-4-en-2-ol is C=CCC(O)(c1ccc(Br)cc1)C(F)(F)F.
What is the InChIKey of 2-(4-bromophenyl)-1,1,1-trifluoropent-4-en-2-ol?
The InChIKey is YULUGZZXANDBLN-UHFFFAOYSA-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.
What are the key properties of 2-(4-bromophenyl)-1,1,1-trifluoropent-4-en-2-ol?
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 2-(4-bromophenyl)-1,1,1-trifluoropent-4-en-2-ol is sourced from PubChem (CID 121006575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).