1-[3-(dimethylamino)-1,1,1-trifluoropropan-2-yl]cyclohexan-1-ol

C11H20F3NO — CID 174485716

IUPAC1-[3-(dimethylamino)-1,1,1-trifluoropropan-2-yl]cyclohexan-1-ol
SMILESCN(C)CC(C(F)(F)F)C1(O)CCCCC1
InChIInChI=1S/C11H20F3NO/c1-15(2)8-9(11(12,13)14)10(16)6-4-3-5-7-10/h9,16H,3-8H2,1-2H3
InChIKeyBOCLBHYOIKNTQX-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.42
Rot. Bonds3

About 1-[3-(dimethylamino)-1,1,1-trifluoropropan-2-yl]cyclohexan-1-ol

1-[3-(dimethylamino)-1,1,1-trifluoropropan-2-yl]cyclohexan-1-ol (PubChem CID 174485716) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-1,1,1-trifluoropropan-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[3-(dimethylamino)-1,1,1-trifluoropropan-2-yl]cyclohexan-1-ol
PubChem CID174485716
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name1-[3-(dimethylamino)-1,1,1-trifluoropropan-2-yl]cyclohexan-1-ol
SMILESCN(C)CC(C(F)(F)F)C1(O)CCCCC1
InChIInChI=1S/C11H20F3NO/c1-15(2)8-9(11(12,13)14)10(16)6-4-3-5-7-10/h9,16H,3-8H2,1-2H3
InChIKeyBOCLBHYOIKNTQX-UHFFFAOYSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-1,1,1-trifluoropropan-2-yl]cyclohexan-1-ol?
The IUPAC name of 1-[3-(dimethylamino)-1,1,1-trifluoropropan-2-yl]cyclohexan-1-ol (CID 174485716) is 1-[3-(dimethylamino)-1,1,1-trifluoropropan-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 1-[3-(dimethylamino)-1,1,1-trifluoropropan-2-yl]cyclohexan-1-ol?
The canonical SMILES for 1-[3-(dimethylamino)-1,1,1-trifluoropropan-2-yl]cyclohexan-1-ol is CN(C)CC(C(F)(F)F)C1(O)CCCCC1.
What is the InChIKey of 1-[3-(dimethylamino)-1,1,1-trifluoropropan-2-yl]cyclohexan-1-ol?
The InChIKey is BOCLBHYOIKNTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-15(2)8-9(11(12,13)14)10(16)6-4-3-5-7-10/h9,16H,3-8H2,1-2H3.
What are the key properties of 1-[3-(dimethylamino)-1,1,1-trifluoropropan-2-yl]cyclohexan-1-ol?
1-[3-(dimethylamino)-1,1,1-trifluoropropan-2-yl]cyclohexan-1-ol has a molecular weight of 239.28 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-1,1,1-trifluoropropan-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 174485716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).