1-(3,3,3-trifluoro-2-oxopropyl)cyclopropane-1-carboxylic acid

C7H7F3O3 — CID 147822752

IUPAC1-(3,3,3-trifluoro-2-oxopropyl)cyclopropane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CC1)C(F)(F)F
InChIInChI=1S/C7H7F3O3/c8-7(9,10)4(11)3-6(1-2-6)5(12)13/h1-3H2,(H,12,13)
InChIKeyHPOCXSJKEZKXAH-UHFFFAOYSA-N
MW196.12 g/mol
LogP1.37
Rot. Bonds3

About 1-(3,3,3-trifluoro-2-oxopropyl)cyclopropane-1-carboxylic acid

1-(3,3,3-trifluoro-2-oxopropyl)cyclopropane-1-carboxylic acid (PubChem CID 147822752) has the molecular formula C7H7F3O3 and a molecular weight of 196.12 g/mol. Its IUPAC name is 1-(3,3,3-trifluoro-2-oxopropyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3,3,3-trifluoro-2-oxopropyl)cyclopropane-1-carboxylic acid
PubChem CID147822752
Molecular FormulaC7H7F3O3
Molecular Weight196.12 g/mol
Exact Mass196.03
IUPAC Name1-(3,3,3-trifluoro-2-oxopropyl)cyclopropane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CC1)C(F)(F)F
InChIInChI=1S/C7H7F3O3/c8-7(9,10)4(11)3-6(1-2-6)5(12)13/h1-3H2,(H,12,13)
InChIKeyHPOCXSJKEZKXAH-UHFFFAOYSA-N
XLogP1.37
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.12
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(carboxymethyl)-4,4-difluorocyclohexane-1-carboxylic acid
CID 176916515
1-(2-methoxy-2-oxoethyl)cyclopropane-1-carboxylic acid
CID 59620516
1-(10,10,10-trifluorodecyl)cyclopropane-1-carboxylic acid
CID 150208157
1-[2-(bromomethyl)prop-2-enyl]cyclopropane-1-carboxylic acid
CID 129285763
1-(carboxymethyl)cyclotridecane-1-carboxylic acid
CID 18620498
4,4-difluoro-1-(hydroxymethyl)cyclohexane-1-carboxylic acid
CID 86690087
4-hydroxy-1-(methoxymethyl)-4-(trifluoromethyl)cyclohexane-1-carboxylic acid
CID 162567158
4-(carboxymethyl)thiane-4-carboxylic acid
CID 83681468
1-(tert-butylsulfanylmethyl)cyclopropane-1-carboxylic acid
CID 84770865
4,4-dimethyl-1-(2-methylidenebutyl)cyclohexane-1-carboxylic acid
CID 79429129
1-[[[2-(2,2,2-trifluoroethylamino)acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312278
1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentane-1-carboxylic acid
CID 62738365

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoro-2-oxopropyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(3,3,3-trifluoro-2-oxopropyl)cyclopropane-1-carboxylic acid (CID 147822752) is 1-(3,3,3-trifluoro-2-oxopropyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(3,3,3-trifluoro-2-oxopropyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(3,3,3-trifluoro-2-oxopropyl)cyclopropane-1-carboxylic acid is O=C(CC1(C(=O)O)CC1)C(F)(F)F.
What is the InChIKey of 1-(3,3,3-trifluoro-2-oxopropyl)cyclopropane-1-carboxylic acid?
The InChIKey is HPOCXSJKEZKXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3O3/c8-7(9,10)4(11)3-6(1-2-6)5(12)13/h1-3H2,(H,12,13).
What are the key properties of 1-(3,3,3-trifluoro-2-oxopropyl)cyclopropane-1-carboxylic acid?
1-(3,3,3-trifluoro-2-oxopropyl)cyclopropane-1-carboxylic acid has a molecular weight of 196.12 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoro-2-oxopropyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 147822752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).