cis-(1S,2R)-2-(difluoromethyl)cyclopropane-1-carboxylic acid

C5H6F2O2 — CID 124539982

IUPACcis-(1S,2R)-2-(difluoromethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H]1C(F)F
InChIInChI=1S/C5H6F2O2/c6-4(7)2-1-3(2)5(8)9/h2-4H,1H2,(H,8,9)/t2-,3+/m1/s1
InChIKeyAQPYFAYLGMEWCD-GBXIJSLDSA-N
MW136.10 g/mol
LogP0.97
Rot. Bonds2

About cis-(1S,2R)-2-(difluoromethyl)cyclopropane-1-carboxylic acid

cis-(1S,2R)-2-(difluoromethyl)cyclopropane-1-carboxylic acid (PubChem CID 124539982) has the molecular formula C5H6F2O2 and a molecular weight of 136.10 g/mol. Its IUPAC name is cis-(1S,2R)-2-(difluoromethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,2R)-2-(difluoromethyl)cyclopropane-1-carboxylic acid
PubChem CID124539982
Molecular FormulaC5H6F2O2
Molecular Weight136.10 g/mol
Exact Mass136.03
IUPAC Namecis-(1S,2R)-2-(difluoromethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H]1C(F)F
InChIInChI=1S/C5H6F2O2/c6-4(7)2-1-3(2)5(8)9/h2-4H,1H2,(H,8,9)/t2-,3+/m1/s1
InChIKeyAQPYFAYLGMEWCD-GBXIJSLDSA-N
XLogP0.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.10
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,5,5-trifluoropentanoic Acid
CID 2782446
4,5,5,5-Tetrafluoro-4-(trifluoromethyl)pentanoic acid
CID 2776799
Cyclopropaneacetic acid
CID 138440
3,3-Difluorocyclobutane-1-carboxylic acid
CID 13777789
1-(Difluoromethyl)cyclopropane-1-carboxylic acid
CID 68800415
2,2-Difluorocyclopropane-1-carboxylic acid
CID 2782823
rac-(1R,2R)-2-(trifluoromethyl)cyclopropane-1-carboxylic acid
CID 13379936
2,2-Difluoro-3,3-dimethylcyclopropane-1-carboxylic acid
CID 45084724
rac-(1R,3S)-2,2-difluoro-3-methylcyclopropane-1-carboxylic acid
CID 95241077
1-(Trifluoromethyl)cyclopropane-1-carboxylic acid
CID 2778306
(1R)-2,2-difluorocyclopropane-1-carboxylic acid
CID 7016556
(1S)-2,2-difluorocyclopropane-1-carboxylic acid
CID 7171884

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(difluoromethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of cis-(1S,2R)-2-(difluoromethyl)cyclopropane-1-carboxylic acid (CID 124539982) is cis-(1S,2R)-2-(difluoromethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,2R)-2-(difluoromethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for cis-(1S,2R)-2-(difluoromethyl)cyclopropane-1-carboxylic acid is O=C(O)[C@H]1C[C@H]1C(F)F.
What is the InChIKey of cis-(1S,2R)-2-(difluoromethyl)cyclopropane-1-carboxylic acid?
The InChIKey is AQPYFAYLGMEWCD-GBXIJSLDSA-N. The full InChI is InChI=1S/C5H6F2O2/c6-4(7)2-1-3(2)5(8)9/h2-4H,1H2,(H,8,9)/t2-,3+/m1/s1.
What are the key properties of cis-(1S,2R)-2-(difluoromethyl)cyclopropane-1-carboxylic acid?
cis-(1S,2R)-2-(difluoromethyl)cyclopropane-1-carboxylic acid has a molecular weight of 136.10 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(difluoromethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 124539982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).