1-bromo-2-(cyclopropylmethoxy)-3-fluorobenzene

C10H10BrFO — CID 59382984

IUPAC1-bromo-2-(cyclopropylmethoxy)-3-fluorobenzene
SMILESFc1cccc(Br)c1OCC1CC1
InChIInChI=1S/C10H10BrFO/c11-8-2-1-3-9(12)10(8)13-6-7-4-5-7/h1-3,7H,4-6H2
InChIKeyUXDPSRREVFNNMK-UHFFFAOYSA-N
MW245.09 g/mol
LogP3.38
Rot. Bonds3

About 1-bromo-2-(cyclopropylmethoxy)-3-fluorobenzene

1-bromo-2-(cyclopropylmethoxy)-3-fluorobenzene (PubChem CID 59382984) has the molecular formula C10H10BrFO and a molecular weight of 245.09 g/mol. Its IUPAC name is 1-bromo-2-(cyclopropylmethoxy)-3-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2-(cyclopropylmethoxy)-3-fluorobenzene
PubChem CID59382984
Molecular FormulaC10H10BrFO
Molecular Weight245.09 g/mol
Exact Mass243.99
IUPAC Name1-bromo-2-(cyclopropylmethoxy)-3-fluorobenzene
SMILESFc1cccc(Br)c1OCC1CC1
InChIInChI=1S/C10H10BrFO/c11-8-2-1-3-9(12)10(8)13-6-7-4-5-7/h1-3,7H,4-6H2
InChIKeyUXDPSRREVFNNMK-UHFFFAOYSA-N
XLogP3.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.09
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(cyclopropylmethoxy)-3-fluorobenzoic acid
CID 62650953
2-[3-bromo-2-(cyclopropylmethoxy)phenyl]acetic acid
CID 117458880
1-[3-bromo-2-(cyclopropylmethoxy)phenyl]cyclobutan-1-amine
CID 117477319
N-[[3-bromo-2-(cyclopropylmethoxy)phenyl]methyl]hydroxylamine
CID 59724543
2-(cyclopropylmethoxy)-3-fluorobenzenesulfonyl chloride
CID 84711266
2-(cyclohexylmethoxy)-1-fluoro-3-methylbenzene
CID 59117163
3-amino-1-[2-(cyclopropylmethoxy)-3-fluorophenyl]propan-1-one
CID 117346682
3-[3-bromo-2-(cyclopropylmethoxy)phenyl]propanoic acid
CID 117481659
1-bromo-2-(cyclopropylmethoxy)-5-ethenyl-3-fluorobenzene
CID 171109232
1-(cyclopropylmethoxy)-2-fluoro-5-methylnaphthalene;ethane
CID 142399346
2-[2-(cyclohexylmethoxy)-3-fluorophenyl]ethanamine
CID 112615272
2-(cyclohexylmethoxy)-3-fluorobenzoic acid
CID 62650140

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(cyclopropylmethoxy)-3-fluorobenzene?
The IUPAC name of 1-bromo-2-(cyclopropylmethoxy)-3-fluorobenzene (CID 59382984) is 1-bromo-2-(cyclopropylmethoxy)-3-fluorobenzene.
What is the SMILES notation for 1-bromo-2-(cyclopropylmethoxy)-3-fluorobenzene?
The canonical SMILES for 1-bromo-2-(cyclopropylmethoxy)-3-fluorobenzene is Fc1cccc(Br)c1OCC1CC1.
What is the InChIKey of 1-bromo-2-(cyclopropylmethoxy)-3-fluorobenzene?
The InChIKey is UXDPSRREVFNNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFO/c11-8-2-1-3-9(12)10(8)13-6-7-4-5-7/h1-3,7H,4-6H2.
What are the key properties of 1-bromo-2-(cyclopropylmethoxy)-3-fluorobenzene?
1-bromo-2-(cyclopropylmethoxy)-3-fluorobenzene has a molecular weight of 245.09 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(cyclopropylmethoxy)-3-fluorobenzene is sourced from PubChem (CID 59382984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).