(E)-4-(4-bromo-2-fluorophenyl)but-3-en-2-ol

C10H10BrFO — CID 103971130

IUPAC(E)-4-(4-bromo-2-fluorophenyl)but-3-en-2-ol
SMILESCC(O)/C=C/c1ccc(Br)cc1F
InChIInChI=1S/C10H10BrFO/c1-7(13)2-3-8-4-5-9(11)6-10(8)12/h2-7,13H,1H3/b3-2+
InChIKeyYUZKUVXNMTXSCX-NSCUHMNNSA-N
MW245.09 g/mol
LogP2.98
Rot. Bonds2

About (E)-4-(4-bromo-2-fluorophenyl)but-3-en-2-ol

(E)-4-(4-bromo-2-fluorophenyl)but-3-en-2-ol (PubChem CID 103971130) has the molecular formula C10H10BrFO and a molecular weight of 245.09 g/mol. Its IUPAC name is (E)-4-(4-bromo-2-fluorophenyl)but-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-(4-bromo-2-fluorophenyl)but-3-en-2-ol
PubChem CID103971130
Molecular FormulaC10H10BrFO
Molecular Weight245.09 g/mol
Exact Mass243.99
IUPAC Name(E)-4-(4-bromo-2-fluorophenyl)but-3-en-2-ol
SMILESCC(O)/C=C/c1ccc(Br)cc1F
InChIInChI=1S/C10H10BrFO/c1-7(13)2-3-8-4-5-9(11)6-10(8)12/h2-7,13H,1H3/b3-2+
InChIKeyYUZKUVXNMTXSCX-NSCUHMNNSA-N
XLogP2.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-4-(4-bromo-2-fluorophenyl)-N-ethylbut-3-en-2-amine
CID 103092280
4-bromo-1-[(Z)-but-1-enyl]-2-fluorobenzene
CID 58961640
2-[(4-bromo-2-fluorophenyl)methylidene]-3-methylbutan-1-ol
CID 79334653
3-(4-bromo-2-fluorophenyl)-N-ethylprop-2-en-1-amine
CID 79347354
methyl (E)-3-(4-bromo-2-fluorophenyl)prop-2-enoate
CID 18989439
(1S)-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol
CID 129371245
3-(4-bromo-2-fluorophenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 78574149
4-bromo-1-(3-bromo-2-methylprop-1-enyl)-2-fluorobenzene
CID 79321674
(E)-4-(4-bromo-2-fluorophenyl)-N-ethyl-3-methylbut-3-en-2-amine
CID 103093212
(E)-4-(5-bromo-2-fluorophenyl)-N-ethylbut-3-en-2-amine
CID 103092384
4-bromo-2-fluoro-1-propan-2-ylbenzene
CID 21051092
(E)-3-(4-bromo-2-fluorophenyl)-1-(2,5-difluorophenyl)prop-2-en-1-one
CID 8832402

Frequently Asked Questions

What is the IUPAC name of (E)-4-(4-bromo-2-fluorophenyl)but-3-en-2-ol?
The IUPAC name of (E)-4-(4-bromo-2-fluorophenyl)but-3-en-2-ol (CID 103971130) is (E)-4-(4-bromo-2-fluorophenyl)but-3-en-2-ol.
What is the SMILES notation for (E)-4-(4-bromo-2-fluorophenyl)but-3-en-2-ol?
The canonical SMILES for (E)-4-(4-bromo-2-fluorophenyl)but-3-en-2-ol is CC(O)/C=C/c1ccc(Br)cc1F.
What is the InChIKey of (E)-4-(4-bromo-2-fluorophenyl)but-3-en-2-ol?
The InChIKey is YUZKUVXNMTXSCX-NSCUHMNNSA-N. The full InChI is InChI=1S/C10H10BrFO/c1-7(13)2-3-8-4-5-9(11)6-10(8)12/h2-7,13H,1H3/b3-2+.
What are the key properties of (E)-4-(4-bromo-2-fluorophenyl)but-3-en-2-ol?
(E)-4-(4-bromo-2-fluorophenyl)but-3-en-2-ol has a molecular weight of 245.09 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(4-bromo-2-fluorophenyl)but-3-en-2-ol is sourced from PubChem (CID 103971130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).