trans-(1R,2R)-2-(5-bromo-2-fluorophenyl)cyclopropane-1-carboxylic acid

C10H8BrFO2 — CID 118304503

IUPACtrans-(1R,2R)-2-(5-bromo-2-fluorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1cc(Br)ccc1F
InChIInChI=1S/C10H8BrFO2/c11-5-1-2-9(12)7(3-5)6-4-8(6)10(13)14/h1-3,6,8H,4H2,(H,13,14)/t6-,8+/m0/s1
InChIKeyWUZXMVVEXNTLHL-POYBYMJQSA-N
MW259.07 g/mol
LogP2.78
Rot. Bonds2

About trans-(1R,2R)-2-(5-bromo-2-fluorophenyl)cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-(5-bromo-2-fluorophenyl)cyclopropane-1-carboxylic acid (PubChem CID 118304503) has the molecular formula C10H8BrFO2 and a molecular weight of 259.07 g/mol. Its IUPAC name is trans-(1R,2R)-2-(5-bromo-2-fluorophenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(5-bromo-2-fluorophenyl)cyclopropane-1-carboxylic acid
PubChem CID118304503
Molecular FormulaC10H8BrFO2
Molecular Weight259.07 g/mol
Exact Mass257.97
IUPAC Nametrans-(1R,2R)-2-(5-bromo-2-fluorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1cc(Br)ccc1F
InChIInChI=1S/C10H8BrFO2/c11-5-1-2-9(12)7(3-5)6-4-8(6)10(13)14/h1-3,6,8H,4H2,(H,13,14)/t6-,8+/m0/s1
InChIKeyWUZXMVVEXNTLHL-POYBYMJQSA-N
XLogP2.78
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.07
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(5-bromo-2-fluorophenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(5-bromo-2-fluorophenyl)cyclopropane-1-carboxylic acid (CID 118304503) is trans-(1R,2R)-2-(5-bromo-2-fluorophenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(5-bromo-2-fluorophenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(5-bromo-2-fluorophenyl)cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@H]1c1cc(Br)ccc1F.
What is the InChIKey of trans-(1R,2R)-2-(5-bromo-2-fluorophenyl)cyclopropane-1-carboxylic acid?
The InChIKey is WUZXMVVEXNTLHL-POYBYMJQSA-N. The full InChI is InChI=1S/C10H8BrFO2/c11-5-1-2-9(12)7(3-5)6-4-8(6)10(13)14/h1-3,6,8H,4H2,(H,13,14)/t6-,8+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(5-bromo-2-fluorophenyl)cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-(5-bromo-2-fluorophenyl)cyclopropane-1-carboxylic acid has a molecular weight of 259.07 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(5-bromo-2-fluorophenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 118304503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).