3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide

C9H16F3NO2 — CID 103723236

IUPAC3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
SMILESCC(C)(C)CC(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-8(2,3)4-7(15)13-5-6(14)9(10,11)12/h6,14H,4-5H2,1-3H3,(H,13,15)
InChIKeySCKGSMQZTDBJKV-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.46
Rot. Bonds3

About 3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide

3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide (PubChem CID 103723236) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
PubChem CID103723236
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide
SMILESCC(C)(C)CC(=O)NCC(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-8(2,3)4-7(15)13-5-6(14)9(10,11)12/h6,14H,4-5H2,1-3H3,(H,13,15)
InChIKeySCKGSMQZTDBJKV-UHFFFAOYSA-N
XLogP1.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide?
The IUPAC name of 3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide (CID 103723236) is 3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide.
What is the SMILES notation for 3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide?
The canonical SMILES for 3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide is CC(C)(C)CC(=O)NCC(O)C(F)(F)F.
What is the InChIKey of 3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide?
The InChIKey is SCKGSMQZTDBJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-8(2,3)4-7(15)13-5-6(14)9(10,11)12/h6,14H,4-5H2,1-3H3,(H,13,15).
What are the key properties of 3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide?
3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide has a molecular weight of 227.23 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(3,3,3-trifluoro-2-hydroxypropyl)butanamide is sourced from PubChem (CID 103723236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).