(2R)-2-bromo-2-fluoro-1-phenylpent-4-en-1-one

C11H10BrFO — CID 125485411

IUPAC(2R)-2-bromo-2-fluoro-1-phenylpent-4-en-1-one
SMILESC=CC[C@@](F)(Br)C(=O)c1ccccc1
InChIInChI=1S/C11H10BrFO/c1-2-8-11(12,13)10(14)9-6-4-3-5-7-9/h2-7H,1,8H2/t11-/m0/s1
InChIKeyFLMJUDCDXOMXEQ-NSHDSACASA-N
MW257.10 g/mol
LogP3.51
Rot. Bonds4

About (2R)-2-bromo-2-fluoro-1-phenylpent-4-en-1-one

(2R)-2-bromo-2-fluoro-1-phenylpent-4-en-1-one (PubChem CID 125485411) has the molecular formula C11H10BrFO and a molecular weight of 257.10 g/mol. Its IUPAC name is (2R)-2-bromo-2-fluoro-1-phenylpent-4-en-1-one.

Molecular Properties

Compound Name(2R)-2-bromo-2-fluoro-1-phenylpent-4-en-1-one
PubChem CID125485411
Molecular FormulaC11H10BrFO
Molecular Weight257.10 g/mol
Exact Mass255.99
IUPAC Name(2R)-2-bromo-2-fluoro-1-phenylpent-4-en-1-one
SMILESC=CC[C@@](F)(Br)C(=O)c1ccccc1
InChIInChI=1S/C11H10BrFO/c1-2-8-11(12,13)10(14)9-6-4-3-5-7-9/h2-7H,1,8H2/t11-/m0/s1
InChIKeyFLMJUDCDXOMXEQ-NSHDSACASA-N
XLogP3.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.10
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-bromo-4-chloro-2-fluoro-1-phenylbutan-1-one
CID 125485445
2,2-difluoro-1,3-diphenylpropane-1,3-dione
CID 3317886
(3E)-2-benzoyl-2-prop-2-enylhexa-3,5-dienenitrile
CID 102577789
2-bromo-3-cyclopentyl-2-fluoro-1-phenylpropan-1-one
CID 135075009
N-(2-methylpent-4-en-2-yl)benzohydrazide
CID 19367786
2,2-dimethyl-1-phenylbut-3-en-1-one
CID 569795
bis(prop-2-enyl) 2,3-dibenzoyl-2,3-dihydroxybutanedioate
CID 139918601
methoxycarbonyl 2-benzoyl-2-methylpent-4-enoate
CID 10612481
ethane;2,2,2-tribromo-1-phenylethanone
CID 159508588
N-(2-hydroxy-2-prop-2-enylpent-4-enyl)benzamide
CID 23007822
diphenylmethanone;1-phenylbut-3-en-1-one
CID 122640182
2-(benzhydrylideneamino)-2-prop-2-enylpent-4-enamide
CID 71446342

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-2-fluoro-1-phenylpent-4-en-1-one?
The IUPAC name of (2R)-2-bromo-2-fluoro-1-phenylpent-4-en-1-one (CID 125485411) is (2R)-2-bromo-2-fluoro-1-phenylpent-4-en-1-one.
What is the SMILES notation for (2R)-2-bromo-2-fluoro-1-phenylpent-4-en-1-one?
The canonical SMILES for (2R)-2-bromo-2-fluoro-1-phenylpent-4-en-1-one is C=CC[C@@](F)(Br)C(=O)c1ccccc1.
What is the InChIKey of (2R)-2-bromo-2-fluoro-1-phenylpent-4-en-1-one?
The InChIKey is FLMJUDCDXOMXEQ-NSHDSACASA-N. The full InChI is InChI=1S/C11H10BrFO/c1-2-8-11(12,13)10(14)9-6-4-3-5-7-9/h2-7H,1,8H2/t11-/m0/s1.
What are the key properties of (2R)-2-bromo-2-fluoro-1-phenylpent-4-en-1-one?
(2R)-2-bromo-2-fluoro-1-phenylpent-4-en-1-one has a molecular weight of 257.10 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-2-fluoro-1-phenylpent-4-en-1-one is sourced from PubChem (CID 125485411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).