2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid

C14H20F3NO3 — CID 64835405

IUPAC2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H20F3NO3/c1-13(2)9(10(13)12(20)21)11(19)18-8-5-3-7(4-6-8)14(15,16)17/h7-10H,3-6H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyWCXSGPJJRCRANH-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.58
Rot. Bonds3

About 2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid

2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 64835405) has the molecular formula C14H20F3NO3 and a molecular weight of 307.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID64835405
Molecular FormulaC14H20F3NO3
Molecular Weight307.31 g/mol
Exact Mass307.14
IUPAC Name2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1C(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H20F3NO3/c1-13(2)9(10(13)12(20)21)11(19)18-8-5-3-7(4-6-8)14(15,16)17/h7-10H,3-6H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyWCXSGPJJRCRANH-UHFFFAOYSA-N
XLogP2.58
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 64835405) is 2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid is CC1(C)C(C(=O)O)C1C(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is WCXSGPJJRCRANH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3NO3/c1-13(2)9(10(13)12(20)21)11(19)18-8-5-3-7(4-6-8)14(15,16)17/h7-10H,3-6H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid?
2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 307.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 64835405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).