1-bromo-3-[(1R)-2,2-difluorocyclopropyl]benzene

C9H7BrF2 — CID 97296884

IUPAC1-bromo-3-[(1R)-2,2-difluorocyclopropyl]benzene
SMILESFC1(F)C[C@@H]1c1cccc(Br)c1
InChIInChI=1S/C9H7BrF2/c10-7-3-1-2-6(4-7)8-5-9(8,11)12/h1-4,8H,5H2/t8-/m1/s1
InChIKeyCTRHNTQRQHKOLH-MRVPVSSYSA-N
MW233.06 g/mol
LogP3.57
Rot. Bonds1

About 1-bromo-3-[(1R)-2,2-difluorocyclopropyl]benzene

1-bromo-3-[(1R)-2,2-difluorocyclopropyl]benzene (PubChem CID 97296884) has the molecular formula C9H7BrF2 and a molecular weight of 233.06 g/mol. Its IUPAC name is 1-bromo-3-[(1R)-2,2-difluorocyclopropyl]benzene.

Molecular Properties

Compound Name1-bromo-3-[(1R)-2,2-difluorocyclopropyl]benzene
PubChem CID97296884
Molecular FormulaC9H7BrF2
Molecular Weight233.06 g/mol
Exact Mass231.97
IUPAC Name1-bromo-3-[(1R)-2,2-difluorocyclopropyl]benzene
SMILESFC1(F)C[C@@H]1c1cccc(Br)c1
InChIInChI=1S/C9H7BrF2/c10-7-3-1-2-6(4-7)8-5-9(8,11)12/h1-4,8H,5H2/t8-/m1/s1
InChIKeyCTRHNTQRQHKOLH-MRVPVSSYSA-N
XLogP3.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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4-(3-bromophenyl)-2,2-dimethylpiperidine
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Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-[(1R)-2,2-difluorocyclopropyl]benzene?
The IUPAC name of 1-bromo-3-[(1R)-2,2-difluorocyclopropyl]benzene (CID 97296884) is 1-bromo-3-[(1R)-2,2-difluorocyclopropyl]benzene.
What is the SMILES notation for 1-bromo-3-[(1R)-2,2-difluorocyclopropyl]benzene?
The canonical SMILES for 1-bromo-3-[(1R)-2,2-difluorocyclopropyl]benzene is FC1(F)C[C@@H]1c1cccc(Br)c1.
What is the InChIKey of 1-bromo-3-[(1R)-2,2-difluorocyclopropyl]benzene?
The InChIKey is CTRHNTQRQHKOLH-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H7BrF2/c10-7-3-1-2-6(4-7)8-5-9(8,11)12/h1-4,8H,5H2/t8-/m1/s1.
What are the key properties of 1-bromo-3-[(1R)-2,2-difluorocyclopropyl]benzene?
1-bromo-3-[(1R)-2,2-difluorocyclopropyl]benzene has a molecular weight of 233.06 g/mol, XLogP of 3.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-[(1R)-2,2-difluorocyclopropyl]benzene is sourced from PubChem (CID 97296884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).