3-(3,3-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol

C13H22F3NO — CID 165496306

IUPAC3-(3,3-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCC1(C)CCN(C2CC(O)CCC2C(F)(F)F)C1
InChIInChI=1S/C13H22F3NO/c1-12(2)5-6-17(8-12)11-7-9(18)3-4-10(11)13(14,15)16/h9-11,18H,3-8H2,1-2H3
InChIKeyLOBHZEIVFATGSF-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.81
Rot. Bonds1

About 3-(3,3-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol

3-(3,3-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 165496306) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-(3,3-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-(3,3-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID165496306
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name3-(3,3-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCC1(C)CCN(C2CC(O)CCC2C(F)(F)F)C1
InChIInChI=1S/C13H22F3NO/c1-12(2)5-6-17(8-12)11-7-9(18)3-4-10(11)13(14,15)16/h9-11,18H,3-8H2,1-2H3
InChIKeyLOBHZEIVFATGSF-UHFFFAOYSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.81
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
4-[(3,3-Difluoropyrrolidin-1-yl)methyl]cyclohexan-1-ol
CID 116991616
3-[Tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490683
3-[(2-Methoxyethyl)(propan-2-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490684
3-[Cyclopropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490687
3-[Cyclopropyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490688
3-[Methyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490689
3-(4-Methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490690
3-[Cyclopentyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490691
3-[Methyl(2-methylbutan-2-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490692
3-[(Propan-2-yl)(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490693
3-[(3-Methoxypropyl)(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490694

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-(3,3-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol (CID 165496306) is 3-(3,3-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-(3,3-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-(3,3-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol is CC1(C)CCN(C2CC(O)CCC2C(F)(F)F)C1.
What is the InChIKey of 3-(3,3-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is LOBHZEIVFATGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-12(2)5-6-17(8-12)11-7-9(18)3-4-10(11)13(14,15)16/h9-11,18H,3-8H2,1-2H3.
What are the key properties of 3-(3,3-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
3-(3,3-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 265.32 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylpyrrolidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 165496306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).