N-[[2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclobutyl]methyl]-2-methylpropan-2-amine

C16H21F4N — CID 107290751

IUPACN-[[2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCC1c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C16H21F4N/c1-15(2,3)21-9-11-4-6-12(11)10-5-7-14(17)13(8-10)16(18,19)20/h5,7-8,11-12,21H,4,6,9H2,1-3H3
InChIKeyPQBULVWMTDXJRR-UHFFFAOYSA-N
MW303.34 g/mol
LogP4.73
Rot. Bonds3

About N-[[2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclobutyl]methyl]-2-methylpropan-2-amine

N-[[2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclobutyl]methyl]-2-methylpropan-2-amine (PubChem CID 107290751) has the molecular formula C16H21F4N and a molecular weight of 303.34 g/mol. Its IUPAC name is N-[[2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclobutyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclobutyl]methyl]-2-methylpropan-2-amine
PubChem CID107290751
Molecular FormulaC16H21F4N
Molecular Weight303.34 g/mol
Exact Mass303.16
IUPAC NameN-[[2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclobutyl]methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCC1CCC1c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C16H21F4N/c1-15(2,3)21-9-11-4-6-12(11)10-5-7-14(17)13(8-10)16(18,19)20/h5,7-8,11-12,21H,4,6,9H2,1-3H3
InChIKeyPQBULVWMTDXJRR-UHFFFAOYSA-N
XLogP4.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclobutyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclobutyl]methyl]-2-methylpropan-2-amine (CID 107290751) is N-[[2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclobutyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclobutyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclobutyl]methyl]-2-methylpropan-2-amine is CC(C)(C)NCC1CCC1c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of N-[[2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclobutyl]methyl]-2-methylpropan-2-amine?
The InChIKey is PQBULVWMTDXJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F4N/c1-15(2,3)21-9-11-4-6-12(11)10-5-7-14(17)13(8-10)16(18,19)20/h5,7-8,11-12,21H,4,6,9H2,1-3H3.
What are the key properties of N-[[2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclobutyl]methyl]-2-methylpropan-2-amine?
N-[[2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclobutyl]methyl]-2-methylpropan-2-amine has a molecular weight of 303.34 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclobutyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 107290751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).