2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid

C10H14F3NO3 — CID 60948808

IUPAC2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)C(=O)C1CC1C(=O)O
InChIInChI=1S/C10H14F3NO3/c1-5(2)14(4-10(11,12)13)8(15)6-3-7(6)9(16)17/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyLSEWHIJFOQOQJZ-UHFFFAOYSA-N
MW253.22 g/mol
LogP1.51
Rot. Bonds4

About 2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid

2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 60948808) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is 2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID60948808
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Name2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC(C)N(CC(F)(F)F)C(=O)C1CC1C(=O)O
InChIInChI=1S/C10H14F3NO3/c1-5(2)14(4-10(11,12)13)8(15)6-3-7(6)9(16)17/h5-7H,3-4H2,1-2H3,(H,16,17)
InChIKeyLSEWHIJFOQOQJZ-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-[4-(Trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 65534816
2-[Cyclobutylmethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 75516631
cis-(1S,2R)-2-[di(propan-2-yl)carbamoyl]-2-methylcyclopropane-1-carboxylic acid
CID 13756517
2-[1-Cyclopropylethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54874781
2-[Pentan-3-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54875332
2-[Butyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54875517
2-[2-Methylpropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54875561
2-[2-Hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 54876188
2-[4-(2,2,2-Trifluoroethyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 54918665
2-[3-(Trifluoromethyl)piperidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 54936613
5-[Cyclopropyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
CID 55011120
2-[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 55011122

Frequently Asked Questions

What is the IUPAC name of 2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 60948808) is 2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid is CC(C)N(CC(F)(F)F)C(=O)C1CC1C(=O)O.
What is the InChIKey of 2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is LSEWHIJFOQOQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO3/c1-5(2)14(4-10(11,12)13)8(15)6-3-7(6)9(16)17/h5-7H,3-4H2,1-2H3,(H,16,17).
What are the key properties of 2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-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-[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 60948808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).