(2-bromo-5-fluorophenyl)-cyclopropylmethanone

C10H8BrFO — CID 114977645

IUPAC(2-bromo-5-fluorophenyl)-cyclopropylmethanone
SMILESO=C(c1cc(F)ccc1Br)C1CC1
InChIInChI=1S/C10H8BrFO/c11-9-4-3-7(12)5-8(9)10(13)6-1-2-6/h3-6H,1-2H2
InChIKeySFRMSXSOMFBQEX-UHFFFAOYSA-N
MW243.07 g/mol
LogP3.18
Rot. Bonds2

About (2-bromo-5-fluorophenyl)-cyclopropylmethanone

(2-bromo-5-fluorophenyl)-cyclopropylmethanone (PubChem CID 114977645) has the molecular formula C10H8BrFO and a molecular weight of 243.07 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-cyclopropylmethanone.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-cyclopropylmethanone
PubChem CID114977645
Molecular FormulaC10H8BrFO
Molecular Weight243.07 g/mol
Exact Mass241.97
IUPAC Name(2-bromo-5-fluorophenyl)-cyclopropylmethanone
SMILESO=C(c1cc(F)ccc1Br)C1CC1
InChIInChI=1S/C10H8BrFO/c11-9-4-3-7(12)5-8(9)10(13)6-1-2-6/h3-6H,1-2H2
InChIKeySFRMSXSOMFBQEX-UHFFFAOYSA-N
XLogP3.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.07
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-5-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106893007
cyclopropyl-(5-fluoro-2-hydroxyphenyl)methanone
CID 62379019
(2-bromo-4-fluorophenyl)-cyclohexylmethanone
CID 114962193
(2,5-difluorophenyl)-(4-methylcyclohexyl)methanone
CID 55120292
(5-fluoro-2-methylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105095429
2-bromo-N-(4-chlorocyclohexyl)-5-fluorobenzamide
CID 113271719
1-(2-bromo-5-fluorophenyl)ethanone
CID 22736080
(2-bromo-5-fluorophenyl)-pyrrolidin-1-ylmethanone
CID 24709222
cyclopropyl-[4-fluoro-2-(trifluoromethyl)phenyl]methanone
CID 118170789
(4,4-difluorocyclohexyl)-(5-fluoro-2-methylphenyl)methanone
CID 105095400
2-bromo-N-cyclopropyl-5-fluoro-N-propylbenzamide
CID 43270647
(2,5-dibromophenyl)-(4-ethylcyclohexyl)methanone
CID 114975946

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-cyclopropylmethanone?
The IUPAC name of (2-bromo-5-fluorophenyl)-cyclopropylmethanone (CID 114977645) is (2-bromo-5-fluorophenyl)-cyclopropylmethanone.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-cyclopropylmethanone?
The canonical SMILES for (2-bromo-5-fluorophenyl)-cyclopropylmethanone is O=C(c1cc(F)ccc1Br)C1CC1.
What is the InChIKey of (2-bromo-5-fluorophenyl)-cyclopropylmethanone?
The InChIKey is SFRMSXSOMFBQEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFO/c11-9-4-3-7(12)5-8(9)10(13)6-1-2-6/h3-6H,1-2H2.
What are the key properties of (2-bromo-5-fluorophenyl)-cyclopropylmethanone?
(2-bromo-5-fluorophenyl)-cyclopropylmethanone has a molecular weight of 243.07 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-cyclopropylmethanone is sourced from PubChem (CID 114977645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).