trans-(1S,2S)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid

C5H5F3O2 — CID 50990456

IUPACtrans-(1S,2S)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H]1C(F)(F)F
InChIInChI=1S/C5H5F3O2/c6-5(7,8)3-1-2(3)4(9)10/h2-3H,1H2,(H,9,10)/t2-,3-/m0/s1
InChIKeyGSNLYQDUCHEFFQ-HRFVKAFMSA-N
MW154.09 g/mol
LogP1.27
Rot. Bonds1

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

trans-(1S,2S)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid (PubChem CID 50990456) has the molecular formula C5H5F3O2 and a molecular weight of 154.09 g/mol. Its IUPAC name is trans-(1S,2S)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid
PubChem CID50990456
Molecular FormulaC5H5F3O2
Molecular Weight154.09 g/mol
Exact Mass154.02
IUPAC Nametrans-(1S,2S)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@@H]1C(F)(F)F
InChIInChI=1S/C5H5F3O2/c6-5(7,8)3-1-2(3)4(9)10/h2-3H,1H2,(H,9,10)/t2-,3-/m0/s1
InChIKeyGSNLYQDUCHEFFQ-HRFVKAFMSA-N
XLogP1.27
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.09
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2S)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid (CID 50990456) is trans-(1S,2S)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2S)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2S)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid is O=C(O)[C@H]1C[C@@H]1C(F)(F)F.
What is the InChIKey of trans-(1S,2S)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid?
The InChIKey is GSNLYQDUCHEFFQ-HRFVKAFMSA-N. The full InChI is InChI=1S/C5H5F3O2/c6-5(7,8)3-1-2(3)4(9)10/h2-3H,1H2,(H,9,10)/t2-,3-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid?
trans-(1S,2S)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid has a molecular weight of 154.09 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 50990456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).