[2-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]methanamine

C12H14F3NO2 — CID 82777155

IUPAC[2-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]methanamine
SMILESCC1(c2ccccc2C(F)(F)F)OCC(CN)O1
InChIInChI=1S/C12H14F3NO2/c1-11(17-7-8(6-16)18-11)9-4-2-3-5-10(9)12(13,14)15/h2-5,8H,6-7,16H2,1H3
InChIKeyCRBNFPHCGFVGGH-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.25
Rot. Bonds2

About [2-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]methanamine

[2-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]methanamine (PubChem CID 82777155) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is [2-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]methanamine
PubChem CID82777155
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name[2-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]methanamine
SMILESCC1(c2ccccc2C(F)(F)F)OCC(CN)O1
InChIInChI=1S/C12H14F3NO2/c1-11(17-7-8(6-16)18-11)9-4-2-3-5-10(9)12(13,14)15/h2-5,8H,6-7,16H2,1H3
InChIKeyCRBNFPHCGFVGGH-UHFFFAOYSA-N
XLogP2.25
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]methanamine?
The IUPAC name of [2-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]methanamine (CID 82777155) is [2-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]methanamine.
What is the SMILES notation for [2-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]methanamine?
The canonical SMILES for [2-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]methanamine is CC1(c2ccccc2C(F)(F)F)OCC(CN)O1.
What is the InChIKey of [2-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]methanamine?
The InChIKey is CRBNFPHCGFVGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c1-11(17-7-8(6-16)18-11)9-4-2-3-5-10(9)12(13,14)15/h2-5,8H,6-7,16H2,1H3.
What are the key properties of [2-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]methanamine?
[2-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]methanamine has a molecular weight of 261.24 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-2-[2-(trifluoromethyl)phenyl]-1,3-dioxolan-4-yl]methanamine is sourced from PubChem (CID 82777155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).