2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-1-ol

C12H22F3NO — CID 81412334

IUPAC2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
SMILESCC(C)(CO)CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-11(2,8-17)7-16-10-5-3-9(4-6-10)12(13,14)15/h9-10,16-17H,3-8H2,1-2H3
InChIKeyRTRBDXGUWYHVNB-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.72
Rot. Bonds4

About 2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-1-ol

2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-1-ol (PubChem CID 81412334) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
PubChem CID81412334
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-1-ol
SMILESCC(C)(CO)CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-11(2,8-17)7-16-10-5-3-9(4-6-10)12(13,14)15/h9-10,16-17H,3-8H2,1-2H3
InChIKeyRTRBDXGUWYHVNB-UHFFFAOYSA-N
XLogP2.72
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-1-ol?
The IUPAC name of 2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-1-ol (CID 81412334) is 2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-1-ol is CC(C)(CO)CNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-1-ol?
The InChIKey is RTRBDXGUWYHVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-11(2,8-17)7-16-10-5-3-9(4-6-10)12(13,14)15/h9-10,16-17H,3-8H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-1-ol?
2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-1-ol has a molecular weight of 253.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[4-(trifluoromethyl)cyclohexyl]amino]propan-1-ol is sourced from PubChem (CID 81412334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).