1-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-ol

C12H20F3NO — CID 113339917

IUPAC1-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-ol
SMILESOC1(CN2CCC(C(F)(F)F)C2)CCCCC1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)10-4-7-16(8-10)9-11(17)5-2-1-3-6-11/h10,17H,1-9H2
InChIKeyIBVNRAFICNEEJN-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.57
Rot. Bonds2

About 1-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-ol

1-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 113339917) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-ol
PubChem CID113339917
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name1-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-ol
SMILESOC1(CN2CCC(C(F)(F)F)C2)CCCCC1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)10-4-7-16(8-10)9-11(17)5-2-1-3-6-11/h10,17H,1-9H2
InChIKeyIBVNRAFICNEEJN-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 1-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-ol (CID 113339917) is 1-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-ol is OC1(CN2CCC(C(F)(F)F)C2)CCCCC1.
What is the InChIKey of 1-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is IBVNRAFICNEEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c13-12(14,15)10-4-7-16(8-10)9-11(17)5-2-1-3-6-11/h10,17H,1-9H2.
What are the key properties of 1-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-ol?
1-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 251.29 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(trifluoromethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 113339917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).