3-[(4,4-Dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol

C11H20F3NO — CID 64394080

IUPAC3-[(4,4-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCC1(CCC(CC1)NCC(C(F)(F)F)O)C
InChIInChI=1S/C11H20F3NO/c1-10(2)5-3-8(4-6-10)15-7-9(16)11(12,13)14/h8-9,15-16H,3-7H2,1-2H3
InChIKeyUFOBEEBZBYZNIL-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.70
Rot. Bonds3

About 3-[(4,4-Dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol

3-[(4,4-Dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 64394080) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-[(4,4-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(4,4-Dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID64394080
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name3-[(4,4-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESCC1(CCC(CC1)NCC(C(F)(F)F)O)C
InChIInChI=1S/C11H20F3NO/c1-10(2)5-3-8(4-6-10)15-7-9(16)11(12,13)14/h8-9,15-16H,3-7H2,1-2H3
InChIKeyUFOBEEBZBYZNIL-UHFFFAOYSA-N
XLogP2.70
TPSA32.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity218

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-Dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(4,4-Dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol (CID 64394080) is 3-[(4,4-dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(4,4-Dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(4,4-Dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol is CC1(CCC(CC1)NCC(C(F)(F)F)O)C.
What is the InChIKey of 3-[(4,4-Dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is UFOBEEBZBYZNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-10(2)5-3-8(4-6-10)15-7-9(16)11(12,13)14/h8-9,15-16H,3-7H2,1-2H3.
What are the key properties of 3-[(4,4-Dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol?
3-[(4,4-Dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 239.28 g/mol, XLogP of 2.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-Dimethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 64394080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).