1-bromo-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzene

C10H8BrF3 — CID 56847192

IUPAC1-bromo-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzene
SMILESFC(F)(F)[C@@H]1C[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C10H8BrF3/c11-7-3-1-6(2-4-7)8-5-9(8)10(12,13)14/h1-4,8-9H,5H2/t8-,9+/m0/s1
InChIKeyKJTTXTPFMGWOCS-DTWKUNHWSA-N
MW265.07 g/mol
LogP4.11
Rot. Bonds1

About 1-bromo-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzene

1-bromo-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzene (PubChem CID 56847192) has the molecular formula C10H8BrF3 and a molecular weight of 265.07 g/mol. Its IUPAC name is 1-bromo-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzene
PubChem CID56847192
Molecular FormulaC10H8BrF3
Molecular Weight265.07 g/mol
Exact Mass263.98
IUPAC Name1-bromo-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzene
SMILESFC(F)(F)[C@@H]1C[C@H]1c1ccc(Br)cc1
InChIInChI=1S/C10H8BrF3/c11-7-3-1-6(2-4-7)8-5-9(8)10(12,13)14/h1-4,8-9H,5H2/t8-,9+/m0/s1
InChIKeyKJTTXTPFMGWOCS-DTWKUNHWSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.07
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzene?
The IUPAC name of 1-bromo-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzene (CID 56847192) is 1-bromo-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzene.
What is the SMILES notation for 1-bromo-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzene?
The canonical SMILES for 1-bromo-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzene is FC(F)(F)[C@@H]1C[C@H]1c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzene?
The InChIKey is KJTTXTPFMGWOCS-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H8BrF3/c11-7-3-1-6(2-4-7)8-5-9(8)10(12,13)14/h1-4,8-9H,5H2/t8-,9+/m0/s1.
What are the key properties of 1-bromo-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzene?
1-bromo-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzene has a molecular weight of 265.07 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(1R,2R)-2-(trifluoromethyl)cyclopropyl]benzene is sourced from PubChem (CID 56847192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).