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

C10H12F3NO3 — CID 55011122

IUPAC2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H12F3NO3/c11-10(12,13)4-14(5-1-2-5)8(15)6-3-7(6)9(16)17/h5-7H,1-4H2,(H,16,17)
InChIKeyDSNXENIYFPNMMP-UHFFFAOYSA-N
MW251.20 g/mol
LogP1.26
Rot. Bonds4

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

2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 55011122) has the molecular formula C10H12F3NO3 and a molecular weight of 251.20 g/mol. Its IUPAC name is 2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID55011122
Molecular FormulaC10H12F3NO3
Molecular Weight251.20 g/mol
Exact Mass251.08
IUPAC Name2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H12F3NO3/c11-10(12,13)4-14(5-1-2-5)8(15)6-3-7(6)9(16)17/h5-7H,1-4H2,(H,16,17)
InChIKeyDSNXENIYFPNMMP-UHFFFAOYSA-N
XLogP1.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 55011122) is 2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is DSNXENIYFPNMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO3/c11-10(12,13)4-14(5-1-2-5)8(15)6-3-7(6)9(16)17/h5-7H,1-4H2,(H,16,17).
What are the key properties of 2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid?
2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 251.20 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 55011122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).