1-[1,4-di(propan-2-yl)pyrrolidin-2-yl]-2,2,2-trifluoroethanol

C12H22F3NO — CID 163397622

IUPAC1-[1,4-di(propan-2-yl)pyrrolidin-2-yl]-2,2,2-trifluoroethanol
SMILESCC(C)C1CC(C(O)C(F)(F)F)N(C(C)C)C1
InChIInChI=1S/C12H22F3NO/c1-7(2)9-5-10(11(17)12(13,14)15)16(6-9)8(3)4/h7-11,17H,5-6H2,1-4H3
InChIKeyDDNMJUCPIDDCRK-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.66
Rot. Bonds3

About 1-[1,4-di(propan-2-yl)pyrrolidin-2-yl]-2,2,2-trifluoroethanol

1-[1,4-di(propan-2-yl)pyrrolidin-2-yl]-2,2,2-trifluoroethanol (PubChem CID 163397622) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[1,4-di(propan-2-yl)pyrrolidin-2-yl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[1,4-di(propan-2-yl)pyrrolidin-2-yl]-2,2,2-trifluoroethanol
PubChem CID163397622
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name1-[1,4-di(propan-2-yl)pyrrolidin-2-yl]-2,2,2-trifluoroethanol
SMILESCC(C)C1CC(C(O)C(F)(F)F)N(C(C)C)C1
InChIInChI=1S/C12H22F3NO/c1-7(2)9-5-10(11(17)12(13,14)15)16(6-9)8(3)4/h7-11,17H,5-6H2,1-4H3
InChIKeyDDNMJUCPIDDCRK-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-2,2,2-trifluoro-1-[(2S)-1-[(3-propan-2-ylcyclobutyl)methyl]pyrrolidin-2-yl]ethanol
CID 68067721
1-[(2R)-4,4-difluoro-1-heptan-4-ylpyrrolidin-2-yl]ethanol
CID 129190742
[3-Methyl-1-(2-methylpropyl)-4-(trifluoromethyl)pyrrolidin-2-yl]methanol
CID 142794277
[(2R)-1-(2,2-difluoroethyl)-3,5-dimethylpyrrolidin-2-yl]methanol
CID 154990714
(3S)-5-[2-(3,3-difluoropyrrolidin-1-yl)propyl]-1-propan-2-ylpiperidin-3-ol
CID 156171757
Propane;2,2,2-trifluoro-1-(4-methyl-1-propan-2-ylpyrrolidin-2-yl)ethanol
CID 163397426
1-[1-[5-Propan-2-yl-2-(trifluoromethyl)oxolan-3-yl]propan-2-yl]pyrrolidin-3-ol
CID 169986005
(1S)-1-[(2S)-4-fluoro-1,4-dimethylpyrrolidin-2-yl]ethanol
CID 170015918
1-(1,2-Dimethylpyrrolidin-2-yl)-3,3,3-trifluoropropan-1-ol
CID 172308746
1-(4,4-Difluoro-1,2-dimethylpyrrolidin-2-yl)ethanol
CID 172308807
[(5S)-1-(2,2-difluoroethyl)-3,5-dimethylpyrrolidin-2-yl]methanol
CID 173872327
(3R,5R)-1-(2-fluoroethyl)-5-(2-methylpropyl)pyrrolidin-3-ol
CID 99995622

Frequently Asked Questions

What is the IUPAC name of 1-[1,4-di(propan-2-yl)pyrrolidin-2-yl]-2,2,2-trifluoroethanol?
The IUPAC name of 1-[1,4-di(propan-2-yl)pyrrolidin-2-yl]-2,2,2-trifluoroethanol (CID 163397622) is 1-[1,4-di(propan-2-yl)pyrrolidin-2-yl]-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-[1,4-di(propan-2-yl)pyrrolidin-2-yl]-2,2,2-trifluoroethanol?
The canonical SMILES for 1-[1,4-di(propan-2-yl)pyrrolidin-2-yl]-2,2,2-trifluoroethanol is CC(C)C1CC(C(O)C(F)(F)F)N(C(C)C)C1.
What is the InChIKey of 1-[1,4-di(propan-2-yl)pyrrolidin-2-yl]-2,2,2-trifluoroethanol?
The InChIKey is DDNMJUCPIDDCRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-7(2)9-5-10(11(17)12(13,14)15)16(6-9)8(3)4/h7-11,17H,5-6H2,1-4H3.
What are the key properties of 1-[1,4-di(propan-2-yl)pyrrolidin-2-yl]-2,2,2-trifluoroethanol?
1-[1,4-di(propan-2-yl)pyrrolidin-2-yl]-2,2,2-trifluoroethanol has a molecular weight of 253.31 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,4-di(propan-2-yl)pyrrolidin-2-yl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 163397622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).