3-[2,2-difluoroethyl(propan-2-yl)amino]-4-ethylcyclohexan-1-ol

C13H25F2NO — CID 165491880

IUPAC3-[2,2-difluoroethyl(propan-2-yl)amino]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)CC1N(CC(F)F)C(C)C
InChIInChI=1S/C13H25F2NO/c1-4-10-5-6-11(17)7-12(10)16(9(2)3)8-13(14)15/h9-13,17H,4-8H2,1-3H3
InChIKeyMDXCUMCQLYEZIF-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.90
Rot. Bonds5

About 3-[2,2-difluoroethyl(propan-2-yl)amino]-4-ethylcyclohexan-1-ol

3-[2,2-difluoroethyl(propan-2-yl)amino]-4-ethylcyclohexan-1-ol (PubChem CID 165491880) has the molecular formula C13H25F2NO and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(propan-2-yl)amino]-4-ethylcyclohexan-1-ol.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(propan-2-yl)amino]-4-ethylcyclohexan-1-ol
PubChem CID165491880
Molecular FormulaC13H25F2NO
Molecular Weight249.34 g/mol
Exact Mass249.19
IUPAC Name3-[2,2-difluoroethyl(propan-2-yl)amino]-4-ethylcyclohexan-1-ol
SMILESCCC1CCC(O)CC1N(CC(F)F)C(C)C
InChIInChI=1S/C13H25F2NO/c1-4-10-5-6-11(17)7-12(10)16(9(2)3)8-13(14)15/h9-13,17H,4-8H2,1-3H3
InChIKeyMDXCUMCQLYEZIF-UHFFFAOYSA-N
XLogP2.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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 3-[2,2-difluoroethyl(propan-2-yl)amino]-4-ethylcyclohexan-1-ol?
The IUPAC name of 3-[2,2-difluoroethyl(propan-2-yl)amino]-4-ethylcyclohexan-1-ol (CID 165491880) is 3-[2,2-difluoroethyl(propan-2-yl)amino]-4-ethylcyclohexan-1-ol.
What is the SMILES notation for 3-[2,2-difluoroethyl(propan-2-yl)amino]-4-ethylcyclohexan-1-ol?
The canonical SMILES for 3-[2,2-difluoroethyl(propan-2-yl)amino]-4-ethylcyclohexan-1-ol is CCC1CCC(O)CC1N(CC(F)F)C(C)C.
What is the InChIKey of 3-[2,2-difluoroethyl(propan-2-yl)amino]-4-ethylcyclohexan-1-ol?
The InChIKey is MDXCUMCQLYEZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO/c1-4-10-5-6-11(17)7-12(10)16(9(2)3)8-13(14)15/h9-13,17H,4-8H2,1-3H3.
What are the key properties of 3-[2,2-difluoroethyl(propan-2-yl)amino]-4-ethylcyclohexan-1-ol?
3-[2,2-difluoroethyl(propan-2-yl)amino]-4-ethylcyclohexan-1-ol has a molecular weight of 249.34 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoroethyl(propan-2-yl)amino]-4-ethylcyclohexan-1-ol is sourced from PubChem (CID 165491880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).