2-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid

C10H14F3NO3 — CID 120976773

IUPAC2-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCCN(CC(F)(F)F)C(=O)C1CCC1C(=O)O
InChIInChI=1S/C10H14F3NO3/c1-2-14(5-10(11,12)13)8(15)6-3-4-7(6)9(16)17/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyFXYOATHWKUZHHK-UHFFFAOYSA-N
MW253.22 g/mol
LogP1.51
Rot. Bonds4

About 2-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid

2-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120976773) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is 2-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120976773
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Name2-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid
SMILESCCN(CC(F)(F)F)C(=O)C1CCC1C(=O)O
InChIInChI=1S/C10H14F3NO3/c1-2-14(5-10(11,12)13)8(15)6-3-4-7(6)9(16)17/h6-7H,2-5H2,1H3,(H,16,17)
InChIKeyFXYOATHWKUZHHK-UHFFFAOYSA-N
XLogP1.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[Methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978054
2-[Butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978375
2-[Propyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978376
2-[2-Methylpropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978384
2-[Methyl(3,3,3-trifluoropropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978888
cis-(1S,2R)-2-[methyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 105633786
cis-(1S,2R)-2-[butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 105635722
cis-(1S,2R)-2-[2-methylpropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 105635790
cis-(1S,2R)-2-[methyl(3,3,3-trifluoropropyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 105639230
cis-(1S,2R)-2-[2,2-difluoroethyl(methyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 105642311
2-[Ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 113361066
cis-(1S,2R)-2-[propyl(2,2,2-trifluoroethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 114091962

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid (CID 120976773) is 2-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid is CCN(CC(F)(F)F)C(=O)C1CCC1C(=O)O.
What is the InChIKey of 2-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is FXYOATHWKUZHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO3/c1-2-14(5-10(11,12)13)8(15)6-3-4-7(6)9(16)17/h6-7H,2-5H2,1H3,(H,16,17).
What are the key properties of 2-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid?
2-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 253.22 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2,2,2-trifluoroethyl)carbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120976773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).