trans-(1R,2R)-2-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid

C10H8F2O2 — CID 93299333

IUPACtrans-(1R,2R)-2-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1c(F)cccc1F
InChIInChI=1S/C10H8F2O2/c11-7-2-1-3-8(12)9(7)5-4-6(5)10(13)14/h1-3,5-6H,4H2,(H,13,14)/t5-,6-/m1/s1
InChIKeyALIVUKPICDOVPV-PHDIDXHHSA-N
MW198.17 g/mol
LogP2.15
Rot. Bonds2

About trans-(1R,2R)-2-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid (PubChem CID 93299333) has the molecular formula C10H8F2O2 and a molecular weight of 198.17 g/mol. Its IUPAC name is trans-(1R,2R)-2-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid
PubChem CID93299333
Molecular FormulaC10H8F2O2
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Nametrans-(1R,2R)-2-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H]1c1c(F)cccc1F
InChIInChI=1S/C10H8F2O2/c11-7-2-1-3-8(12)9(7)5-4-6(5)10(13)14/h1-3,5-6H,4H2,(H,13,14)/t5-,6-/m1/s1
InChIKeyALIVUKPICDOVPV-PHDIDXHHSA-N
XLogP2.15
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 52.15
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-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid (CID 93299333) is trans-(1R,2R)-2-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@H]1c1c(F)cccc1F.
What is the InChIKey of trans-(1R,2R)-2-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid?
The InChIKey is ALIVUKPICDOVPV-PHDIDXHHSA-N. The full InChI is InChI=1S/C10H8F2O2/c11-7-2-1-3-8(12)9(7)5-4-6(5)10(13)14/h1-3,5-6H,4H2,(H,13,14)/t5-,6-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid has a molecular weight of 198.17 g/mol, XLogP of 2.15, 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-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 93299333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).