2,2,3,3-tetrafluoro-N-methyl-1-(2-methylnaphthalen-1-yl)propan-1-amine

C15H15F4N — CID 81432025

IUPAC2,2,3,3-tetrafluoro-N-methyl-1-(2-methylnaphthalen-1-yl)propan-1-amine
SMILESCNC(c1c(C)ccc2ccccc12)C(F)(F)C(F)F
InChIInChI=1S/C15H15F4N/c1-9-7-8-10-5-3-4-6-11(10)12(9)13(20-2)15(18,19)14(16)17/h3-8,13-14,20H,1-2H3
InChIKeyRBIMHVDVMFVGFZ-UHFFFAOYSA-N
MW285.28 g/mol
LogP4.31
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N-methyl-1-(2-methylnaphthalen-1-yl)propan-1-amine

2,2,3,3-tetrafluoro-N-methyl-1-(2-methylnaphthalen-1-yl)propan-1-amine (PubChem CID 81432025) has the molecular formula C15H15F4N and a molecular weight of 285.28 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-methyl-1-(2-methylnaphthalen-1-yl)propan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-methyl-1-(2-methylnaphthalen-1-yl)propan-1-amine
PubChem CID81432025
Molecular FormulaC15H15F4N
Molecular Weight285.28 g/mol
Exact Mass285.11
IUPAC Name2,2,3,3-tetrafluoro-N-methyl-1-(2-methylnaphthalen-1-yl)propan-1-amine
SMILESCNC(c1c(C)ccc2ccccc12)C(F)(F)C(F)F
InChIInChI=1S/C15H15F4N/c1-9-7-8-10-5-3-4-6-11(10)12(9)13(20-2)15(18,19)14(16)17/h3-8,13-14,20H,1-2H3
InChIKeyRBIMHVDVMFVGFZ-UHFFFAOYSA-N
XLogP4.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.28
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-methyl-1-(2-methylnaphthalen-1-yl)propan-1-amine?
The IUPAC name of 2,2,3,3-tetrafluoro-N-methyl-1-(2-methylnaphthalen-1-yl)propan-1-amine (CID 81432025) is 2,2,3,3-tetrafluoro-N-methyl-1-(2-methylnaphthalen-1-yl)propan-1-amine.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-methyl-1-(2-methylnaphthalen-1-yl)propan-1-amine?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-methyl-1-(2-methylnaphthalen-1-yl)propan-1-amine is CNC(c1c(C)ccc2ccccc12)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-methyl-1-(2-methylnaphthalen-1-yl)propan-1-amine?
The InChIKey is RBIMHVDVMFVGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F4N/c1-9-7-8-10-5-3-4-6-11(10)12(9)13(20-2)15(18,19)14(16)17/h3-8,13-14,20H,1-2H3.
What are the key properties of 2,2,3,3-tetrafluoro-N-methyl-1-(2-methylnaphthalen-1-yl)propan-1-amine?
2,2,3,3-tetrafluoro-N-methyl-1-(2-methylnaphthalen-1-yl)propan-1-amine has a molecular weight of 285.28 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-methyl-1-(2-methylnaphthalen-1-yl)propan-1-amine is sourced from PubChem (CID 81432025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).