4,4,4-trifluoro-2,3-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbutan-1-amine

C13H26F3N — CID 121474459

IUPAC4,4,4-trifluoro-2,3-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)CN(CC(C)C(C)C(F)(F)F)C(C)C
InChIInChI=1S/C13H26F3N/c1-9(2)7-17(10(3)4)8-11(5)12(6)13(14,15)16/h9-12H,7-8H2,1-6H3
InChIKeyNIKOYYKBXOKSNX-UHFFFAOYSA-N
MW253.35 g/mol
LogP4.19
Rot. Bonds6

About 4,4,4-trifluoro-2,3-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbutan-1-amine

4,4,4-trifluoro-2,3-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbutan-1-amine (PubChem CID 121474459) has the molecular formula C13H26F3N and a molecular weight of 253.35 g/mol. Its IUPAC name is 4,4,4-trifluoro-2,3-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-2,3-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbutan-1-amine
PubChem CID121474459
Molecular FormulaC13H26F3N
Molecular Weight253.35 g/mol
Exact Mass253.20
IUPAC Name4,4,4-trifluoro-2,3-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbutan-1-amine
SMILESCC(C)CN(CC(C)C(C)C(F)(F)F)C(C)C
InChIInChI=1S/C13H26F3N/c1-9(2)7-17(10(3)4)8-11(5)12(6)13(14,15)16/h9-12H,7-8H2,1-6H3
InChIKeyNIKOYYKBXOKSNX-UHFFFAOYSA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2,3-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4,4,4-trifluoro-2,3-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbutan-1-amine (CID 121474459) is 4,4,4-trifluoro-2,3-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-2,3-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-2,3-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbutan-1-amine is CC(C)CN(CC(C)C(C)C(F)(F)F)C(C)C.
What is the InChIKey of 4,4,4-trifluoro-2,3-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbutan-1-amine?
The InChIKey is NIKOYYKBXOKSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3N/c1-9(2)7-17(10(3)4)8-11(5)12(6)13(14,15)16/h9-12H,7-8H2,1-6H3.
What are the key properties of 4,4,4-trifluoro-2,3-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbutan-1-amine?
4,4,4-trifluoro-2,3-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbutan-1-amine has a molecular weight of 253.35 g/mol, XLogP of 4.19, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2,3-dimethyl-N-(2-methylpropyl)-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 121474459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).