trans-(1R,2R)-2-fluoro-1-methylcyclopropane-1-carboxylic acid

C5H7FO2 — CID 92980128

IUPACtrans-(1R,2R)-2-fluoro-1-methylcyclopropane-1-carboxylic acid
SMILESC[C@]1(C(=O)O)C[C@H]1F
InChIInChI=1S/C5H7FO2/c1-5(4(7)8)2-3(5)6/h3H,2H2,1H3,(H,7,8)/t3-,5+/m1/s1
InChIKeyQQPAMTHUZUGCJI-WUJLRWPWSA-N
MW118.11 g/mol
LogP0.82
Rot. Bonds1

About trans-(1R,2R)-2-fluoro-1-methylcyclopropane-1-carboxylic acid

trans-(1R,2R)-2-fluoro-1-methylcyclopropane-1-carboxylic acid (PubChem CID 92980128) has the molecular formula C5H7FO2 and a molecular weight of 118.11 g/mol. Its IUPAC name is trans-(1R,2R)-2-fluoro-1-methylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-fluoro-1-methylcyclopropane-1-carboxylic acid
PubChem CID92980128
Molecular FormulaC5H7FO2
Molecular Weight118.11 g/mol
Exact Mass118.04
IUPAC Nametrans-(1R,2R)-2-fluoro-1-methylcyclopropane-1-carboxylic acid
SMILESC[C@]1(C(=O)O)C[C@H]1F
InChIInChI=1S/C5H7FO2/c1-5(4(7)8)2-3(5)6/h3H,2H2,1H3,(H,7,8)/t3-,5+/m1/s1
InChIKeyQQPAMTHUZUGCJI-WUJLRWPWSA-N
XLogP0.82
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.11
LogP ≤ 50.82
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-fluoro-1-methylcyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-fluoro-1-methylcyclopropane-1-carboxylic acid (CID 92980128) is trans-(1R,2R)-2-fluoro-1-methylcyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-fluoro-1-methylcyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-fluoro-1-methylcyclopropane-1-carboxylic acid is C[C@]1(C(=O)O)C[C@H]1F.
What is the InChIKey of trans-(1R,2R)-2-fluoro-1-methylcyclopropane-1-carboxylic acid?
The InChIKey is QQPAMTHUZUGCJI-WUJLRWPWSA-N. The full InChI is InChI=1S/C5H7FO2/c1-5(4(7)8)2-3(5)6/h3H,2H2,1H3,(H,7,8)/t3-,5+/m1/s1.
What are the key properties of trans-(1R,2R)-2-fluoro-1-methylcyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-fluoro-1-methylcyclopropane-1-carboxylic acid has a molecular weight of 118.11 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-fluoro-1-methylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 92980128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).