3-[(2,6-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol

C11H20F3NO — CID 115712116

IUPAC3-[(2,6-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCC1CCCC(C)C1NCC(O)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-7-4-3-5-8(2)10(7)15-6-9(16)11(12,13)14/h7-10,15-16H,3-6H2,1-2H3
InChIKeyVBDHSTVBLDCJJC-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.32
Rot. Bonds3

About 3-[(2,6-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol

3-[(2,6-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 115712116) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-[(2,6-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(2,6-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID115712116
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name3-[(2,6-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCC1CCCC(C)C1NCC(O)C(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-7-4-3-5-8(2)10(7)15-6-9(16)11(12,13)14/h7-10,15-16H,3-6H2,1-2H3
InChIKeyVBDHSTVBLDCJJC-UHFFFAOYSA-N
XLogP2.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,6-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(2,6-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol (CID 115712116) is 3-[(2,6-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(2,6-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(2,6-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol is CC1CCCC(C)C1NCC(O)C(F)(F)F.
What is the InChIKey of 3-[(2,6-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is VBDHSTVBLDCJJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-7-4-3-5-8(2)10(7)15-6-9(16)11(12,13)14/h7-10,15-16H,3-6H2,1-2H3.
What are the key properties of 3-[(2,6-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(2,6-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 239.28 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,6-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 115712116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).