2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]cyclohexan-1-ol

C12H21F2NO — CID 114339463

IUPAC2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]cyclohexan-1-ol
SMILESOC1CCCCC1C1CCCN1CC(F)F
InChIInChI=1S/C12H21F2NO/c13-12(14)8-15-7-3-5-10(15)9-4-1-2-6-11(9)16/h9-12,16H,1-8H2
InChIKeyZOZTXRIOBGLLNJ-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.27
Rot. Bonds3

About 2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]cyclohexan-1-ol

2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 114339463) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID114339463
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC Name2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]cyclohexan-1-ol
SMILESOC1CCCCC1C1CCCN1CC(F)F
InChIInChI=1S/C12H21F2NO/c13-12(14)8-15-7-3-5-10(15)9-4-1-2-6-11(9)16/h9-12,16H,1-8H2
InChIKeyZOZTXRIOBGLLNJ-UHFFFAOYSA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(2-Hydroxycyclohexyl)pyrrolidin-1-yl]acetonitrile
CID 114339493
2-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol
CID 55094483
4-Ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 55094669
2-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol
CID 55094670
2-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 55094671
4-Ethyl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 55094719
2-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62608867
4-Methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62608868
2-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol
CID 62609041
2-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62609216
2-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62609380
4-Ethyl-2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62609382

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]cyclohexan-1-ol (CID 114339463) is 2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]cyclohexan-1-ol is OC1CCCCC1C1CCCN1CC(F)F.
What is the InChIKey of 2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is ZOZTXRIOBGLLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO/c13-12(14)8-15-7-3-5-10(15)9-4-1-2-6-11(9)16/h9-12,16H,1-8H2.
What are the key properties of 2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]cyclohexan-1-ol?
2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 233.30 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 114339463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).