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

C11H20F3NO — CID 81422253

IUPAC3-[(3,3-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCC1(C)CCCC(NCC(O)C(F)(F)F)C1
InChIInChI=1S/C11H20F3NO/c1-10(2)5-3-4-8(6-10)15-7-9(16)11(12,13)14/h8-9,15-16H,3-7H2,1-2H3
InChIKeyKEWZVKIJPUHKIY-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.47
Rot. Bonds3

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

3-[(3,3-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 81422253) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-[(3,3-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(3,3-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID81422253
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name3-[(3,3-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCC1(C)CCCC(NCC(O)C(F)(F)F)C1
InChIInChI=1S/C11H20F3NO/c1-10(2)5-3-4-8(6-10)15-7-9(16)11(12,13)14/h8-9,15-16H,3-7H2,1-2H3
InChIKeyKEWZVKIJPUHKIY-UHFFFAOYSA-N
XLogP2.47
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 ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(3,3-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol (CID 81422253) is 3-[(3,3-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(3,3-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(3,3-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol is CC1(C)CCCC(NCC(O)C(F)(F)F)C1.
What is the InChIKey of 3-[(3,3-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is KEWZVKIJPUHKIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-10(2)5-3-4-8(6-10)15-7-9(16)11(12,13)14/h8-9,15-16H,3-7H2,1-2H3.
What are the key properties of 3-[(3,3-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(3,3-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 239.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 81422253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).