2-chloro-N-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide

C11H14ClF6NO — CID 71672632

IUPAC2-chloro-N-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide
SMILESCN(C(=O)C(Cl)(C(F)(F)F)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C11H14ClF6NO/c1-19(7-5-3-2-4-6-7)8(20)9(12,10(13,14)15)11(16,17)18/h7H,2-6H2,1H3
InChIKeyLWTMEQFHWPVNDV-UHFFFAOYSA-N
MW325.68 g/mol
LogP3.88
Rot. Bonds2

About 2-chloro-N-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide

2-chloro-N-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide (PubChem CID 71672632) has the molecular formula C11H14ClF6NO and a molecular weight of 325.68 g/mol. Its IUPAC name is 2-chloro-N-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide
PubChem CID71672632
Molecular FormulaC11H14ClF6NO
Molecular Weight325.68 g/mol
Exact Mass325.07
IUPAC Name2-chloro-N-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide
SMILESCN(C(=O)C(Cl)(C(F)(F)F)C(F)(F)F)C1CCCCC1
InChIInChI=1S/C11H14ClF6NO/c1-19(7-5-3-2-4-6-7)8(20)9(12,10(13,14)15)11(16,17)18/h7H,2-6H2,1H3
InChIKeyLWTMEQFHWPVNDV-UHFFFAOYSA-N
XLogP3.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.68
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide?
The IUPAC name of 2-chloro-N-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide (CID 71672632) is 2-chloro-N-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide.
What is the SMILES notation for 2-chloro-N-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide?
The canonical SMILES for 2-chloro-N-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide is CN(C(=O)C(Cl)(C(F)(F)F)C(F)(F)F)C1CCCCC1.
What is the InChIKey of 2-chloro-N-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide?
The InChIKey is LWTMEQFHWPVNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClF6NO/c1-19(7-5-3-2-4-6-7)8(20)9(12,10(13,14)15)11(16,17)18/h7H,2-6H2,1H3.
What are the key properties of 2-chloro-N-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide?
2-chloro-N-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide has a molecular weight of 325.68 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-cyclohexyl-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propanamide is sourced from PubChem (CID 71672632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).