[3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol

C9H16F3NO — CID 102787836

IUPAC[3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol
SMILESCC1CCN(CCC(F)(F)F)C1CO
InChIInChI=1S/C9H16F3NO/c1-7-2-4-13(8(7)6-14)5-3-9(10,11)12/h7-8,14H,2-6H2,1H3
InChIKeyUMTJOTDLJPZVNR-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.64
Rot. Bonds3

About [3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol

[3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol (PubChem CID 102787836) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is [3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol
PubChem CID102787836
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name[3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol
SMILESCC1CCN(CCC(F)(F)F)C1CO
InChIInChI=1S/C9H16F3NO/c1-7-2-4-13(8(7)6-14)5-3-9(10,11)12/h7-8,14H,2-6H2,1H3
InChIKeyUMTJOTDLJPZVNR-UHFFFAOYSA-N
XLogP1.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-(2,2-difluoroethyl)pyrrolidin-2-yl]methanol
CID 64104040
[(2S)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol
CID 121597861
[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol
CID 10954178
[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol
CID 60002546
[1-(2,2-Difluoroethyl)pyrrolidin-2-yl]methanol
CID 62013740
(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
[1-(3-Fluoropropyl)pyrrolidin-2-yl]methanol
CID 81113428
2,2-Difluoro-2-(1-methylpyrrolidin-3-yl)ethanol
CID 105432623
[(2S)-1-ethyl-4,4-difluoropyrrolidin-2-yl]methanol
CID 118669648

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol (CID 102787836) is [3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol is CC1CCN(CCC(F)(F)F)C1CO.
What is the InChIKey of [3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol?
The InChIKey is UMTJOTDLJPZVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-7-2-4-13(8(7)6-14)5-3-9(10,11)12/h7-8,14H,2-6H2,1H3.
What are the key properties of [3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol?
[3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol has a molecular weight of 211.23 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 102787836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).