3-amino-2,2,3-trimethyl-N-(3,3,3-trifluoropropyl)butanamide

C10H19F3N2O — CID 65267377

IUPAC3-amino-2,2,3-trimethyl-N-(3,3,3-trifluoropropyl)butanamide
SMILESCC(C)(N)C(C)(C)C(=O)NCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-8(2,9(3,4)14)7(16)15-6-5-10(11,12)13/h5-6,14H2,1-4H3,(H,15,16)
InChIKeyCVEXMZSAKKEXED-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.82
Rot. Bonds4

About 3-amino-2,2,3-trimethyl-N-(3,3,3-trifluoropropyl)butanamide

3-amino-2,2,3-trimethyl-N-(3,3,3-trifluoropropyl)butanamide (PubChem CID 65267377) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 3-amino-2,2,3-trimethyl-N-(3,3,3-trifluoropropyl)butanamide.

Molecular Properties

Compound Name3-amino-2,2,3-trimethyl-N-(3,3,3-trifluoropropyl)butanamide
PubChem CID65267377
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name3-amino-2,2,3-trimethyl-N-(3,3,3-trifluoropropyl)butanamide
SMILESCC(C)(N)C(C)(C)C(=O)NCCC(F)(F)F
InChIInChI=1S/C10H19F3N2O/c1-8(2,9(3,4)14)7(16)15-6-5-10(11,12)13/h5-6,14H2,1-4H3,(H,15,16)
InChIKeyCVEXMZSAKKEXED-UHFFFAOYSA-N
XLogP1.82
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2,2,3-trimethyl-N-(3,3,3-trifluoropropyl)butanamide?
The IUPAC name of 3-amino-2,2,3-trimethyl-N-(3,3,3-trifluoropropyl)butanamide (CID 65267377) is 3-amino-2,2,3-trimethyl-N-(3,3,3-trifluoropropyl)butanamide.
What is the SMILES notation for 3-amino-2,2,3-trimethyl-N-(3,3,3-trifluoropropyl)butanamide?
The canonical SMILES for 3-amino-2,2,3-trimethyl-N-(3,3,3-trifluoropropyl)butanamide is CC(C)(N)C(C)(C)C(=O)NCCC(F)(F)F.
What is the InChIKey of 3-amino-2,2,3-trimethyl-N-(3,3,3-trifluoropropyl)butanamide?
The InChIKey is CVEXMZSAKKEXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-8(2,9(3,4)14)7(16)15-6-5-10(11,12)13/h5-6,14H2,1-4H3,(H,15,16).
What are the key properties of 3-amino-2,2,3-trimethyl-N-(3,3,3-trifluoropropyl)butanamide?
3-amino-2,2,3-trimethyl-N-(3,3,3-trifluoropropyl)butanamide has a molecular weight of 240.27 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,2,3-trimethyl-N-(3,3,3-trifluoropropyl)butanamide is sourced from PubChem (CID 65267377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).