1,1,1-trifluoro-3-[methyl(3-methylbutyl)amino]propan-2-ol

C9H18F3NO — CID 63899796

IUPAC1,1,1-trifluoro-3-[methyl(3-methylbutyl)amino]propan-2-ol
SMILESCC(C)CCN(C)CC(O)C(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-7(2)4-5-13(3)6-8(14)9(10,11)12/h7-8,14H,4-6H2,1-3H3
InChIKeyRJPINXUMHBOXGR-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.89
Rot. Bonds5

About 1,1,1-trifluoro-3-[methyl(3-methylbutyl)amino]propan-2-ol

1,1,1-trifluoro-3-[methyl(3-methylbutyl)amino]propan-2-ol (PubChem CID 63899796) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[methyl(3-methylbutyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[methyl(3-methylbutyl)amino]propan-2-ol
PubChem CID63899796
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name1,1,1-trifluoro-3-[methyl(3-methylbutyl)amino]propan-2-ol
SMILESCC(C)CCN(C)CC(O)C(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-7(2)4-5-13(3)6-8(14)9(10,11)12/h7-8,14H,4-6H2,1-3H3
InChIKeyRJPINXUMHBOXGR-UHFFFAOYSA-N
XLogP1.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[methyl(3-methylbutyl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[methyl(3-methylbutyl)amino]propan-2-ol (CID 63899796) is 1,1,1-trifluoro-3-[methyl(3-methylbutyl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[methyl(3-methylbutyl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[methyl(3-methylbutyl)amino]propan-2-ol is CC(C)CCN(C)CC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[methyl(3-methylbutyl)amino]propan-2-ol?
The InChIKey is RJPINXUMHBOXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-7(2)4-5-13(3)6-8(14)9(10,11)12/h7-8,14H,4-6H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-3-[methyl(3-methylbutyl)amino]propan-2-ol?
1,1,1-trifluoro-3-[methyl(3-methylbutyl)amino]propan-2-ol has a molecular weight of 213.24 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[methyl(3-methylbutyl)amino]propan-2-ol is sourced from PubChem (CID 63899796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).