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

C11H20F3NO — CID 63902055

IUPAC1,1,1-trifluoro-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol
SMILESCC1CCCC(N(C)CC(O)C(F)(F)F)C1
InChIInChI=1S/C11H20F3NO/c1-8-4-3-5-9(6-8)15(2)7-10(16)11(12,13)14/h8-10,16H,3-7H2,1-2H3
InChIKeyXPYRKVHRPNAWHH-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.42
Rot. Bonds3

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

1,1,1-trifluoro-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol (PubChem CID 63902055) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol
PubChem CID63902055
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name1,1,1-trifluoro-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol
SMILESCC1CCCC(N(C)CC(O)C(F)(F)F)C1
InChIInChI=1S/C11H20F3NO/c1-8-4-3-5-9(6-8)15(2)7-10(16)11(12,13)14/h8-10,16H,3-7H2,1-2H3
InChIKeyXPYRKVHRPNAWHH-UHFFFAOYSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.42
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-methylcyclohexyl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol (CID 63902055) is 1,1,1-trifluoro-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol is CC1CCCC(N(C)CC(O)C(F)(F)F)C1.
What is the InChIKey of 1,1,1-trifluoro-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol?
The InChIKey is XPYRKVHRPNAWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-8-4-3-5-9(6-8)15(2)7-10(16)11(12,13)14/h8-10,16H,3-7H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol?
1,1,1-trifluoro-3-[methyl-(3-methylcyclohexyl)amino]propan-2-ol has a molecular weight of 239.28 g/mol, XLogP of 2.42, 3 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-methylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 63902055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).