methanamine;propan-2-ol;2,2,2-trifluoroacetic acid

C6H14F3NO3 — CID 175427039

IUPACmethanamine;propan-2-ol;2,2,2-trifluoroacetic acid
SMILESCC(C)O.CN.O=C(O)C(F)(F)F
InChIInChI=1S/C3H8O.C2HF3O2.CH5N/c1-3(2)4;3-2(4,5)1(6)7;1-2/h3-4H,1-2H3;(H,6,7);2H2,1H3
InChIKeyLNTNKVVQLXCDBG-UHFFFAOYSA-N
MW205.18 g/mol
LogP0.60
Rot. Bonds

About methanamine;propan-2-ol;2,2,2-trifluoroacetic acid

methanamine;propan-2-ol;2,2,2-trifluoroacetic acid (PubChem CID 175427039) has the molecular formula C6H14F3NO3 and a molecular weight of 205.18 g/mol. Its IUPAC name is methanamine;propan-2-ol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namemethanamine;propan-2-ol;2,2,2-trifluoroacetic acid
PubChem CID175427039
Molecular FormulaC6H14F3NO3
Molecular Weight205.18 g/mol
Exact Mass205.09
IUPAC Namemethanamine;propan-2-ol;2,2,2-trifluoroacetic acid
SMILESCC(C)O.CN.O=C(O)C(F)(F)F
InChIInChI=1S/C3H8O.C2HF3O2.CH5N/c1-3(2)4;3-2(4,5)1(6)7;1-2/h3-4H,1-2H3;(H,6,7);2H2,1H3
InChIKeyLNTNKVVQLXCDBG-UHFFFAOYSA-N
XLogP0.60
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methanamine;propan-2-ol;2,2,2-trifluoroacetic acid?
The IUPAC name of methanamine;propan-2-ol;2,2,2-trifluoroacetic acid (CID 175427039) is methanamine;propan-2-ol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for methanamine;propan-2-ol;2,2,2-trifluoroacetic acid?
The canonical SMILES for methanamine;propan-2-ol;2,2,2-trifluoroacetic acid is CC(C)O.CN.O=C(O)C(F)(F)F.
What is the InChIKey of methanamine;propan-2-ol;2,2,2-trifluoroacetic acid?
The InChIKey is LNTNKVVQLXCDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8O.C2HF3O2.CH5N/c1-3(2)4;3-2(4,5)1(6)7;1-2/h3-4H,1-2H3;(H,6,7);2H2,1H3.
What are the key properties of methanamine;propan-2-ol;2,2,2-trifluoroacetic acid?
methanamine;propan-2-ol;2,2,2-trifluoroacetic acid has a molecular weight of 205.18 g/mol, XLogP of 0.60, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;propan-2-ol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175427039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).