4-ethyl-3-[methyl(3,3,3-trifluoropropyl)amino]cyclohexan-1-ol

C12H22F3NO — CID 165491774

IUPAC4-ethyl-3-[methyl(3,3,3-trifluoropropyl)amino]cyclohexan-1-ol
SMILESCCC1CCC(O)CC1N(C)CCC(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-3-9-4-5-10(17)8-11(9)16(2)7-6-12(13,14)15/h9-11,17H,3-8H2,1-2H3
InChIKeyVHQHMRXNHXLRNK-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.81
Rot. Bonds4

About 4-ethyl-3-[methyl(3,3,3-trifluoropropyl)amino]cyclohexan-1-ol

4-ethyl-3-[methyl(3,3,3-trifluoropropyl)amino]cyclohexan-1-ol (PubChem CID 165491774) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 4-ethyl-3-[methyl(3,3,3-trifluoropropyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-3-[methyl(3,3,3-trifluoropropyl)amino]cyclohexan-1-ol
PubChem CID165491774
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name4-ethyl-3-[methyl(3,3,3-trifluoropropyl)amino]cyclohexan-1-ol
SMILESCCC1CCC(O)CC1N(C)CCC(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-3-9-4-5-10(17)8-11(9)16(2)7-6-12(13,14)15/h9-11,17H,3-8H2,1-2H3
InChIKeyVHQHMRXNHXLRNK-UHFFFAOYSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-ethyl-3-[methyl(3,3,3-trifluoropropyl)amino]cyclohexan-1-ol with MolForge

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Related Compounds

(3aS,6S,7aS)-1-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-6-ol
CID 118709201
5-(3,3-Difluoroazetidin-1-yl)-2-propan-2-ylcyclohexan-1-ol
CID 178922854
4-Ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 55094669
2-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62608867
2-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol
CID 62609041
{4-[Methyl(2,2,2-trifluoroethyl)amino]cyclohexyl}methanol
CID 75433495
3-[Methyl(3,3,3-trifluoropropyl)amino]cyclohexan-1-ol
CID 79618015
3-[3-(Trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
CID 79618127
3-[Methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 79618218
3-[4-(Trifluoromethyl)piperidin-1-yl]cyclohexan-1-ol
CID 79618233
3-[Propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 79618881
3-[Ethyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 79618988

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-[methyl(3,3,3-trifluoropropyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-3-[methyl(3,3,3-trifluoropropyl)amino]cyclohexan-1-ol (CID 165491774) is 4-ethyl-3-[methyl(3,3,3-trifluoropropyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-3-[methyl(3,3,3-trifluoropropyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-3-[methyl(3,3,3-trifluoropropyl)amino]cyclohexan-1-ol is CCC1CCC(O)CC1N(C)CCC(F)(F)F.
What is the InChIKey of 4-ethyl-3-[methyl(3,3,3-trifluoropropyl)amino]cyclohexan-1-ol?
The InChIKey is VHQHMRXNHXLRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-3-9-4-5-10(17)8-11(9)16(2)7-6-12(13,14)15/h9-11,17H,3-8H2,1-2H3.
What are the key properties of 4-ethyl-3-[methyl(3,3,3-trifluoropropyl)amino]cyclohexan-1-ol?
4-ethyl-3-[methyl(3,3,3-trifluoropropyl)amino]cyclohexan-1-ol has a molecular weight of 253.31 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-[methyl(3,3,3-trifluoropropyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 165491774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).