1-bromo-2-cyclopropyl-3-fluorobenzene

C9H8BrF — CID 71078541

IUPAC1-bromo-2-cyclopropyl-3-fluorobenzene
SMILESFc1cccc(Br)c1C1CC1
InChIInChI=1S/C9H8BrF/c10-7-2-1-3-8(11)9(7)6-4-5-6/h1-3,6H,4-5H2
InChIKeySYCSLHKPDSGTAQ-UHFFFAOYSA-N
MW215.06 g/mol
LogP3.47
Rot. Bonds1

About 1-bromo-2-cyclopropyl-3-fluorobenzene

1-bromo-2-cyclopropyl-3-fluorobenzene (PubChem CID 71078541) has the molecular formula C9H8BrF and a molecular weight of 215.06 g/mol. Its IUPAC name is 1-bromo-2-cyclopropyl-3-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2-cyclopropyl-3-fluorobenzene
PubChem CID71078541
Molecular FormulaC9H8BrF
Molecular Weight215.06 g/mol
Exact Mass213.98
IUPAC Name1-bromo-2-cyclopropyl-3-fluorobenzene
SMILESFc1cccc(Br)c1C1CC1
InChIInChI=1S/C9H8BrF/c10-7-2-1-3-8(11)9(7)6-4-5-6/h1-3,6H,4-5H2
InChIKeySYCSLHKPDSGTAQ-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.06
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-cyclopropyl-3-fluorobenzene?
The IUPAC name of 1-bromo-2-cyclopropyl-3-fluorobenzene (CID 71078541) is 1-bromo-2-cyclopropyl-3-fluorobenzene.
What is the SMILES notation for 1-bromo-2-cyclopropyl-3-fluorobenzene?
The canonical SMILES for 1-bromo-2-cyclopropyl-3-fluorobenzene is Fc1cccc(Br)c1C1CC1.
What is the InChIKey of 1-bromo-2-cyclopropyl-3-fluorobenzene?
The InChIKey is SYCSLHKPDSGTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF/c10-7-2-1-3-8(11)9(7)6-4-5-6/h1-3,6H,4-5H2.
What are the key properties of 1-bromo-2-cyclopropyl-3-fluorobenzene?
1-bromo-2-cyclopropyl-3-fluorobenzene has a molecular weight of 215.06 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-cyclopropyl-3-fluorobenzene is sourced from PubChem (CID 71078541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).