1,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide

C12H20F3NO — CID 162563395

IUPAC1,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
SMILESCC1CCCCC1(C)C(=O)NCCC(F)(F)F
InChIInChI=1S/C12H20F3NO/c1-9-5-3-4-6-11(9,2)10(17)16-8-7-12(13,14)15/h9H,3-8H2,1-2H3,(H,16,17)
InChIKeyLOVFJYTWMHENCD-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.27
Rot. Bonds3

About 1,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide

1,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide (PubChem CID 162563395) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 1,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
PubChem CID162563395
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name1,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide
SMILESCC1CCCCC1(C)C(=O)NCCC(F)(F)F
InChIInChI=1S/C12H20F3NO/c1-9-5-3-4-6-11(9,2)10(17)16-8-7-12(13,14)15/h9H,3-8H2,1-2H3,(H,16,17)
InChIKeyLOVFJYTWMHENCD-UHFFFAOYSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide?
The IUPAC name of 1,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide (CID 162563395) is 1,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide is CC1CCCCC1(C)C(=O)NCCC(F)(F)F.
What is the InChIKey of 1,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide?
The InChIKey is LOVFJYTWMHENCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-9-5-3-4-6-11(9,2)10(17)16-8-7-12(13,14)15/h9H,3-8H2,1-2H3,(H,16,17).
What are the key properties of 1,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide?
1,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide has a molecular weight of 251.29 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-(3,3,3-trifluoropropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 162563395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).