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

C12H20F3NO — CID 114339444

IUPAC2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]cyclohexan-1-ol
SMILESOC1CCCCC1C1CCCN1CC(F)(F)F
InChIInChI=1S/C12H20F3NO/c13-12(14,15)8-16-7-3-5-10(16)9-4-1-2-6-11(9)17/h9-11,17H,1-8H2
InChIKeyVDCGJRCHJDBVGM-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.56
Rot. Bonds2

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

2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]cyclohexan-1-ol (PubChem CID 114339444) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]cyclohexan-1-ol
PubChem CID114339444
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]cyclohexan-1-ol
SMILESOC1CCCCC1C1CCCN1CC(F)(F)F
InChIInChI=1S/C12H20F3NO/c13-12(14,15)8-16-7-3-5-10(16)9-4-1-2-6-11(9)17/h9-11,17H,1-8H2
InChIKeyVDCGJRCHJDBVGM-UHFFFAOYSA-N
XLogP2.56
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The IUPAC name of 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]cyclohexan-1-ol (CID 114339444) is 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]cyclohexan-1-ol is OC1CCCCC1C1CCCN1CC(F)(F)F.
What is the InChIKey of 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]cyclohexan-1-ol?
The InChIKey is VDCGJRCHJDBVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c13-12(14,15)8-16-7-3-5-10(16)9-4-1-2-6-11(9)17/h9-11,17H,1-8H2.
What are the key properties of 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]cyclohexan-1-ol?
2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]cyclohexan-1-ol has a molecular weight of 251.29 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 114339444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).