1,1,1-trifluoro-3-[4-(methylaminomethyl)cyclohexyl]propan-2-ol

C11H20F3NO — CID 84736815

IUPAC1,1,1-trifluoro-3-[4-(methylaminomethyl)cyclohexyl]propan-2-ol
SMILESCNCC1CCC(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-15-7-9-4-2-8(3-5-9)6-10(16)11(12,13)14/h8-10,15-16H,2-7H2,1H3
InChIKeyPZVWKVGQSNJRTK-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.33
Rot. Bonds4

About 1,1,1-trifluoro-3-[4-(methylaminomethyl)cyclohexyl]propan-2-ol

1,1,1-trifluoro-3-[4-(methylaminomethyl)cyclohexyl]propan-2-ol (PubChem CID 84736815) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[4-(methylaminomethyl)cyclohexyl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[4-(methylaminomethyl)cyclohexyl]propan-2-ol
PubChem CID84736815
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name1,1,1-trifluoro-3-[4-(methylaminomethyl)cyclohexyl]propan-2-ol
SMILESCNCC1CCC(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-15-7-9-4-2-8(3-5-9)6-10(16)11(12,13)14/h8-10,15-16H,2-7H2,1H3
InChIKeyPZVWKVGQSNJRTK-UHFFFAOYSA-N
XLogP2.33
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[4-(methylaminomethyl)cyclohexyl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[4-(methylaminomethyl)cyclohexyl]propan-2-ol (CID 84736815) is 1,1,1-trifluoro-3-[4-(methylaminomethyl)cyclohexyl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[4-(methylaminomethyl)cyclohexyl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[4-(methylaminomethyl)cyclohexyl]propan-2-ol is CNCC1CCC(CC(O)C(F)(F)F)CC1.
What is the InChIKey of 1,1,1-trifluoro-3-[4-(methylaminomethyl)cyclohexyl]propan-2-ol?
The InChIKey is PZVWKVGQSNJRTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-15-7-9-4-2-8(3-5-9)6-10(16)11(12,13)14/h8-10,15-16H,2-7H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[4-(methylaminomethyl)cyclohexyl]propan-2-ol?
1,1,1-trifluoro-3-[4-(methylaminomethyl)cyclohexyl]propan-2-ol has a molecular weight of 239.28 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[4-(methylaminomethyl)cyclohexyl]propan-2-ol is sourced from PubChem (CID 84736815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).