[3-methyl-1-(2-methylpropyl)-4-(trifluoromethyl)pyrrolidin-2-yl]methanol

C11H20F3NO — CID 142794277

IUPAC[3-methyl-1-(2-methylpropyl)-4-(trifluoromethyl)pyrrolidin-2-yl]methanol
SMILESCC(C)CN1CC(C(F)(F)F)C(C)C1CO
InChIInChI=1S/C11H20F3NO/c1-7(2)4-15-5-9(11(12,13)14)8(3)10(15)6-16/h7-10,16H,4-6H2,1-3H3
InChIKeyRGEDDUFRHCZUKR-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.13
Rot. Bonds3

About [3-methyl-1-(2-methylpropyl)-4-(trifluoromethyl)pyrrolidin-2-yl]methanol

[3-methyl-1-(2-methylpropyl)-4-(trifluoromethyl)pyrrolidin-2-yl]methanol (PubChem CID 142794277) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is [3-methyl-1-(2-methylpropyl)-4-(trifluoromethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-(2-methylpropyl)-4-(trifluoromethyl)pyrrolidin-2-yl]methanol
PubChem CID142794277
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name[3-methyl-1-(2-methylpropyl)-4-(trifluoromethyl)pyrrolidin-2-yl]methanol
SMILESCC(C)CN1CC(C(F)(F)F)C(C)C1CO
InChIInChI=1S/C11H20F3NO/c1-7(2)4-15-5-9(11(12,13)14)8(3)10(15)6-16/h7-10,16H,4-6H2,1-3H3
InChIKeyRGEDDUFRHCZUKR-UHFFFAOYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol
CID 60002546
1-[(2R)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]propan-1-ol
CID 67851644
(1S)-2,2,2-trifluoro-1-[(2S)-1-[(3-propan-2-ylcyclobutyl)methyl]pyrrolidin-2-yl]ethanol
CID 68067721
[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol
CID 72207988
[(2R)-4,4-Difluoro-1-methyl-pyrrolidin-2-yl]methanol
CID 72619538
(1-Tert-butyl-4-fluoropyrrolidin-2-yl)methanol
CID 77284419
2-(Hydroxymethyl)-3-methyl-4-(trifluoromethyl)pyrrolidine-1-carboxylic acid
CID 90157614
[(2S)-1-ethyl-4,4-difluoropyrrolidin-2-yl]methanol
CID 118669648
(2-Ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol
CID 123449239
(1-Ethyl-4,4-difluoropyrrolidin-2-yl)methanol
CID 126989719
(4-Fluoro-1-propan-2-ylpyrrolidin-2-yl)methanol
CID 126997673
[(2S,4S)-4-fluoro-1-(2-methylpropyl)pyrrolidin-2-yl]methanol
CID 127004508

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(2-methylpropyl)-4-(trifluoromethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-(2-methylpropyl)-4-(trifluoromethyl)pyrrolidin-2-yl]methanol (CID 142794277) is [3-methyl-1-(2-methylpropyl)-4-(trifluoromethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-(2-methylpropyl)-4-(trifluoromethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-(2-methylpropyl)-4-(trifluoromethyl)pyrrolidin-2-yl]methanol is CC(C)CN1CC(C(F)(F)F)C(C)C1CO.
What is the InChIKey of [3-methyl-1-(2-methylpropyl)-4-(trifluoromethyl)pyrrolidin-2-yl]methanol?
The InChIKey is RGEDDUFRHCZUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-7(2)4-15-5-9(11(12,13)14)8(3)10(15)6-16/h7-10,16H,4-6H2,1-3H3.
What are the key properties of [3-methyl-1-(2-methylpropyl)-4-(trifluoromethyl)pyrrolidin-2-yl]methanol?
[3-methyl-1-(2-methylpropyl)-4-(trifluoromethyl)pyrrolidin-2-yl]methanol has a molecular weight of 239.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(2-methylpropyl)-4-(trifluoromethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 142794277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).