2,3-dimethyl-3-(2,3,4,5,6-pentafluorophenyl)butan-2-amine

C12H14F5N — CID 143571830

IUPAC2,3-dimethyl-3-(2,3,4,5,6-pentafluorophenyl)butan-2-amine
SMILESCC(C)(N)C(C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H14F5N/c1-11(2,12(3,4)18)5-6(13)8(15)10(17)9(16)7(5)14/h18H2,1-4H3
InChIKeyRSZQZGLIDFTVIH-UHFFFAOYSA-N
MW267.24 g/mol
LogP3.40
Rot. Bonds2

About 2,3-dimethyl-3-(2,3,4,5,6-pentafluorophenyl)butan-2-amine

2,3-dimethyl-3-(2,3,4,5,6-pentafluorophenyl)butan-2-amine (PubChem CID 143571830) has the molecular formula C12H14F5N and a molecular weight of 267.24 g/mol. Its IUPAC name is 2,3-dimethyl-3-(2,3,4,5,6-pentafluorophenyl)butan-2-amine.

Molecular Properties

Compound Name2,3-dimethyl-3-(2,3,4,5,6-pentafluorophenyl)butan-2-amine
PubChem CID143571830
Molecular FormulaC12H14F5N
Molecular Weight267.24 g/mol
Exact Mass267.10
IUPAC Name2,3-dimethyl-3-(2,3,4,5,6-pentafluorophenyl)butan-2-amine
SMILESCC(C)(N)C(C)(C)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C12H14F5N/c1-11(2,12(3,4)18)5-6(13)8(15)10(17)9(16)7(5)14/h18H2,1-4H3
InChIKeyRSZQZGLIDFTVIH-UHFFFAOYSA-N
XLogP3.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-(2,3,4,5,6-pentafluorophenyl)butan-2-amine?
The IUPAC name of 2,3-dimethyl-3-(2,3,4,5,6-pentafluorophenyl)butan-2-amine (CID 143571830) is 2,3-dimethyl-3-(2,3,4,5,6-pentafluorophenyl)butan-2-amine.
What is the SMILES notation for 2,3-dimethyl-3-(2,3,4,5,6-pentafluorophenyl)butan-2-amine?
The canonical SMILES for 2,3-dimethyl-3-(2,3,4,5,6-pentafluorophenyl)butan-2-amine is CC(C)(N)C(C)(C)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2,3-dimethyl-3-(2,3,4,5,6-pentafluorophenyl)butan-2-amine?
The InChIKey is RSZQZGLIDFTVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F5N/c1-11(2,12(3,4)18)5-6(13)8(15)10(17)9(16)7(5)14/h18H2,1-4H3.
What are the key properties of 2,3-dimethyl-3-(2,3,4,5,6-pentafluorophenyl)butan-2-amine?
2,3-dimethyl-3-(2,3,4,5,6-pentafluorophenyl)butan-2-amine has a molecular weight of 267.24 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-(2,3,4,5,6-pentafluorophenyl)butan-2-amine is sourced from PubChem (CID 143571830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).