5,5,5-trifluoro-N-(2-methylbutan-2-yl)pentanamide

C10H18F3NO — CID 91184762

IUPAC5,5,5-trifluoro-N-(2-methylbutan-2-yl)pentanamide
SMILESCCC(C)(C)NC(=O)CCCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-4-9(2,3)14-8(15)6-5-7-10(11,12)13/h4-7H2,1-3H3,(H,14,15)
InChIKeySQSICSBQPKYJCO-UHFFFAOYSA-N
MW225.25 g/mol
LogP3.02
Rot. Bonds5

About 5,5,5-trifluoro-N-(2-methylbutan-2-yl)pentanamide

5,5,5-trifluoro-N-(2-methylbutan-2-yl)pentanamide (PubChem CID 91184762) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-(2-methylbutan-2-yl)pentanamide.

Molecular Properties

Compound Name5,5,5-trifluoro-N-(2-methylbutan-2-yl)pentanamide
PubChem CID91184762
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name5,5,5-trifluoro-N-(2-methylbutan-2-yl)pentanamide
SMILESCCC(C)(C)NC(=O)CCCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-4-9(2,3)14-8(15)6-5-7-10(11,12)13/h4-7H2,1-3H3,(H,14,15)
InChIKeySQSICSBQPKYJCO-UHFFFAOYSA-N
XLogP3.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-(2-methylbutan-2-yl)pentanamide?
The IUPAC name of 5,5,5-trifluoro-N-(2-methylbutan-2-yl)pentanamide (CID 91184762) is 5,5,5-trifluoro-N-(2-methylbutan-2-yl)pentanamide.
What is the SMILES notation for 5,5,5-trifluoro-N-(2-methylbutan-2-yl)pentanamide?
The canonical SMILES for 5,5,5-trifluoro-N-(2-methylbutan-2-yl)pentanamide is CCC(C)(C)NC(=O)CCCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-N-(2-methylbutan-2-yl)pentanamide?
The InChIKey is SQSICSBQPKYJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-4-9(2,3)14-8(15)6-5-7-10(11,12)13/h4-7H2,1-3H3,(H,14,15).
What are the key properties of 5,5,5-trifluoro-N-(2-methylbutan-2-yl)pentanamide?
5,5,5-trifluoro-N-(2-methylbutan-2-yl)pentanamide has a molecular weight of 225.25 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-(2-methylbutan-2-yl)pentanamide is sourced from PubChem (CID 91184762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).