trans-(1S,2R)-2-(fluoromethyl)cyclopropane-1-carboxylic acid

C5H7FO2 — CID 162341780

IUPACtrans-(1S,2R)-2-(fluoromethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H]1CF
InChIInChI=1S/C5H7FO2/c6-2-3-1-4(3)5(7)8/h3-4H,1-2H2,(H,7,8)/t3-,4-/m0/s1
InChIKeyUGMUWEAHMRSJRQ-IMJSIDKUSA-N
MW118.11 g/mol
LogP0.68
Rot. Bonds2

About trans-(1S,2R)-2-(fluoromethyl)cyclopropane-1-carboxylic acid

trans-(1S,2R)-2-(fluoromethyl)cyclopropane-1-carboxylic acid (PubChem CID 162341780) has the molecular formula C5H7FO2 and a molecular weight of 118.11 g/mol. Its IUPAC name is trans-(1S,2R)-2-(fluoromethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(fluoromethyl)cyclopropane-1-carboxylic acid
PubChem CID162341780
Molecular FormulaC5H7FO2
Molecular Weight118.11 g/mol
Exact Mass118.04
IUPAC Nametrans-(1S,2R)-2-(fluoromethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H]1CF
InChIInChI=1S/C5H7FO2/c6-2-3-1-4(3)5(7)8/h3-4H,1-2H2,(H,7,8)/t3-,4-/m0/s1
InChIKeyUGMUWEAHMRSJRQ-IMJSIDKUSA-N
XLogP0.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2R)-2-(fluoromethyl)cyclobutane-1-carboxylic acid
CID 96581648
trans-(1S,2R)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid
CID 10654204
trans-(1R,2S)-2-(fluoromethyl)cyclopentane-1-carboxylic acid
CID 96581659
cis-(1S,2S)-2-(fluoromethyl)cyclohexane-1-carboxylic acid
CID 96581669
2-(aminomethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 78144501
cis-(1S,2R)-2-(2-hydroxyethyl)cyclopropane-1-carboxylic acid
CID 146256670
cis-methyl (1R,2R)-2-(fluoromethyl)cyclopropane-1-carboxylate
CID 122227702
2-(2-oxoethyl)cyclopropane-1-carboxylic acid
CID 91091325
trans-(1S,2R)-2-(2-methylpropyl)cyclopropane-1-carboxylic acid
CID 94420067
cis-(1R,2S)-cyclopropane-1,2-dicarboxylic acid
CID 726455
(2R)-cyclobutane-1,2-dicarboxylic acid
CID 135193426
(1R)-2-fluorocyclopropane-1-carboxylic acid
CID 126485045

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-(fluoromethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2R)-2-(fluoromethyl)cyclopropane-1-carboxylic acid (CID 162341780) is trans-(1S,2R)-2-(fluoromethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2R)-2-(fluoromethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2R)-2-(fluoromethyl)cyclopropane-1-carboxylic acid is O=C(O)[C@H]1C[C@H]1CF.
What is the InChIKey of trans-(1S,2R)-2-(fluoromethyl)cyclopropane-1-carboxylic acid?
The InChIKey is UGMUWEAHMRSJRQ-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H7FO2/c6-2-3-1-4(3)5(7)8/h3-4H,1-2H2,(H,7,8)/t3-,4-/m0/s1.
What are the key properties of trans-(1S,2R)-2-(fluoromethyl)cyclopropane-1-carboxylic acid?
trans-(1S,2R)-2-(fluoromethyl)cyclopropane-1-carboxylic acid has a molecular weight of 118.11 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-(fluoromethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 162341780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).