N-cyclohexyl-2,2-bis(trifluoromethyl)butanamide

C12H17F6NO — CID 3320184

IUPACN-cyclohexyl-2,2-bis(trifluoromethyl)butanamide
SMILESCCC(C(=O)NC1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H17F6NO/c1-2-10(11(13,14)15,12(16,17)18)9(20)19-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,19,20)
InChIKeyKKVRDYAUHBKEOV-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.96
Rot. Bonds3

About N-cyclohexyl-2,2-bis(trifluoromethyl)butanamide

N-cyclohexyl-2,2-bis(trifluoromethyl)butanamide (PubChem CID 3320184) has the molecular formula C12H17F6NO and a molecular weight of 305.26 g/mol. Its IUPAC name is N-cyclohexyl-2,2-bis(trifluoromethyl)butanamide.

Molecular Properties

Compound NameN-cyclohexyl-2,2-bis(trifluoromethyl)butanamide
PubChem CID3320184
Molecular FormulaC12H17F6NO
Molecular Weight305.26 g/mol
Exact Mass305.12
IUPAC NameN-cyclohexyl-2,2-bis(trifluoromethyl)butanamide
SMILESCCC(C(=O)NC1CCCCC1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H17F6NO/c1-2-10(11(13,14)15,12(16,17)18)9(20)19-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,19,20)
InChIKeyKKVRDYAUHBKEOV-UHFFFAOYSA-N
XLogP3.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,2-bis(trifluoromethyl)butanamide?
The IUPAC name of N-cyclohexyl-2,2-bis(trifluoromethyl)butanamide (CID 3320184) is N-cyclohexyl-2,2-bis(trifluoromethyl)butanamide.
What is the SMILES notation for N-cyclohexyl-2,2-bis(trifluoromethyl)butanamide?
The canonical SMILES for N-cyclohexyl-2,2-bis(trifluoromethyl)butanamide is CCC(C(=O)NC1CCCCC1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-cyclohexyl-2,2-bis(trifluoromethyl)butanamide?
The InChIKey is KKVRDYAUHBKEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F6NO/c1-2-10(11(13,14)15,12(16,17)18)9(20)19-8-6-4-3-5-7-8/h8H,2-7H2,1H3,(H,19,20).
What are the key properties of N-cyclohexyl-2,2-bis(trifluoromethyl)butanamide?
N-cyclohexyl-2,2-bis(trifluoromethyl)butanamide has a molecular weight of 305.26 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,2-bis(trifluoromethyl)butanamide is sourced from PubChem (CID 3320184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).