aniline;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;methanamine

C11H16F6N2O — CID 91203975

IUPACaniline;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;methanamine
SMILESCC(O)(C(F)(F)F)C(F)(F)F.CN.Nc1ccccc1
InChIInChI=1S/C6H7N.C4H4F6O.CH5N/c7-6-4-2-1-3-5-6;1-2(11,3(5,6)7)4(8,9)10;1-2/h1-5H,7H2;11H,1H3;2H2,1H3
InChIKeyKNGFOSIZWPQKGW-UHFFFAOYSA-N
MW306.25 g/mol
LogP2.71
Rot. Bonds

About aniline;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;methanamine

aniline;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;methanamine (PubChem CID 91203975) has the molecular formula C11H16F6N2O and a molecular weight of 306.25 g/mol. Its IUPAC name is aniline;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;methanamine.

Molecular Properties

Compound Nameaniline;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;methanamine
PubChem CID91203975
Molecular FormulaC11H16F6N2O
Molecular Weight306.25 g/mol
Exact Mass306.12
IUPAC Nameaniline;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;methanamine
SMILESCC(O)(C(F)(F)F)C(F)(F)F.CN.Nc1ccccc1
InChIInChI=1S/C6H7N.C4H4F6O.CH5N/c7-6-4-2-1-3-5-6;1-2(11,3(5,6)7)4(8,9)10;1-2/h1-5H,7H2;11H,1H3;2H2,1H3
InChIKeyKNGFOSIZWPQKGW-UHFFFAOYSA-N
XLogP2.71
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.25
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aniline;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;methanamine?
The IUPAC name of aniline;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;methanamine (CID 91203975) is aniline;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;methanamine.
What is the SMILES notation for aniline;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;methanamine?
The canonical SMILES for aniline;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;methanamine is CC(O)(C(F)(F)F)C(F)(F)F.CN.Nc1ccccc1.
What is the InChIKey of aniline;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;methanamine?
The InChIKey is KNGFOSIZWPQKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C4H4F6O.CH5N/c7-6-4-2-1-3-5-6;1-2(11,3(5,6)7)4(8,9)10;1-2/h1-5H,7H2;11H,1H3;2H2,1H3.
What are the key properties of aniline;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;methanamine?
aniline;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;methanamine has a molecular weight of 306.25 g/mol, XLogP of 2.71, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;methanamine is sourced from PubChem (CID 91203975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).