trans-(1R,2R)-2-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid

C11H10F2O2 — CID 99993220

IUPACtrans-(1R,2R)-2-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H]1Cc1ccc(F)c(F)c1
InChIInChI=1S/C11H10F2O2/c12-9-2-1-6(4-10(9)13)3-7-5-8(7)11(14)15/h1-2,4,7-8H,3,5H2,(H,14,15)/t7-,8+/m0/s1
InChIKeyCJMOSIYQNXZRLV-JGVFFNPUSA-N
MW212.19 g/mol
LogP2.23
Rot. Bonds3

About trans-(1R,2R)-2-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 99993220) has the molecular formula C11H10F2O2 and a molecular weight of 212.19 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid
PubChem CID99993220
Molecular FormulaC11H10F2O2
Molecular Weight212.19 g/mol
Exact Mass212.06
IUPAC Nametrans-(1R,2R)-2-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@@H]1Cc1ccc(F)c(F)c1
InChIInChI=1S/C11H10F2O2/c12-9-2-1-6(4-10(9)13)3-7-5-8(7)11(14)15/h1-2,4,7-8H,3,5H2,(H,14,15)/t7-,8+/m0/s1
InChIKeyCJMOSIYQNXZRLV-JGVFFNPUSA-N
XLogP2.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(3,4-difluorophenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83936253
cis-(1R,2S)-2-benzylcyclopropane-1-carboxylic acid
CID 10487497
2-[(3-bromo-4-fluorophenyl)methyl]-4-propan-2-ylcyclohexane-1-carboxylic acid
CID 81013569
trans-(1R,2R)-2-[(4-bromophenyl)methyl]cyclopropane-1-carboxylic acid
CID 99939597
2-[(2,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid
CID 102568503
cis-(1R,2S)-2-[(4-propylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 99993212
1-[(3,4-difluorophenyl)methyl]-2-methylpiperidine-4-carboxylic acid
CID 106744824
2-[2-(4-fluoro-3-methylphenyl)ethyl]cyclopropane-1-carboxylic acid
CID 83931121
4-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 53398259
trans-(1R,2R)-2-[3-[(3,4-difluorophenyl)methyl]pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 166239722
2-[(3-chloro-4-fluorophenyl)methyl]cyclopentane-1-carboxylic acid
CID 103042286
2-(2,3-dihydro-1-benzofuran-5-ylmethyl)cyclopropane-1-carboxylic acid
CID 116927075

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid (CID 99993220) is trans-(1R,2R)-2-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid is O=C(O)[C@@H]1C[C@@H]1Cc1ccc(F)c(F)c1.
What is the InChIKey of trans-(1R,2R)-2-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is CJMOSIYQNXZRLV-JGVFFNPUSA-N. The full InChI is InChI=1S/C11H10F2O2/c12-9-2-1-6(4-10(9)13)3-7-5-8(7)11(14)15/h1-2,4,7-8H,3,5H2,(H,14,15)/t7-,8+/m0/s1.
What are the key properties of trans-(1R,2R)-2-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 212.19 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(3,4-difluorophenyl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 99993220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).