1,1,1-trifluoro-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol

C9H16F3NO — CID 130487919

IUPAC1,1,1-trifluoro-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol
SMILESCC1CCCN1CC(C)(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-7-4-3-5-13(7)6-8(2,14)9(10,11)12/h7,14H,3-6H2,1-2H3
InChIKeyFYYDZTUAMZKCTC-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.78
Rot. Bonds2

About 1,1,1-trifluoro-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol

1,1,1-trifluoro-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol (PubChem CID 130487919) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol
PubChem CID130487919
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name1,1,1-trifluoro-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol
SMILESCC1CCCN1CC(C)(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-7-4-3-5-13(7)6-8(2,14)9(10,11)12/h7,14H,3-6H2,1-2H3
InChIKeyFYYDZTUAMZKCTC-UHFFFAOYSA-N
XLogP1.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(2-methylpyrrolidin-1-yl)propane-1,2-diol
CID 104550406
1-amino-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol
CID 64818955
2-methyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidine
CID 130718541
1-amino-2-methyl-3-(2-methylpiperidin-1-yl)propan-2-ol
CID 64818768
2-amino-2-methyl-3-(2-methylpiperidin-1-yl)propan-1-ol
CID 64795621
(2S)-1,1,1-trifluoro-2-methyl-3-[(4S)-4-pyrrolidin-1-ylazepan-1-yl]propan-2-ol
CID 124732322
[1-hydroxy-2-(2-methylpiperidin-1-yl)-1-phosphonoethyl]phosphonic acid
CID 22406539
N,3,3-trimethyl-4-(2-methylpyrrolidin-1-yl)butan-2-amine
CID 66453819
ethane;1-ethyl-2-methylpyrrolidine;methanol
CID 144741574
1-(2,2-diethyl-3-methylbutyl)-2-methylpyrrolidine
CID 134568282
1,1,1,3,3,3-hexafluoro-2-[[(2R)-2-[(2R)-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]propan-2-ol
CID 101490684
N-ethyl-2-methyl-2-[(2-methylpyrrolidin-1-yl)methyl]butan-1-amine
CID 62277022

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol (CID 130487919) is 1,1,1-trifluoro-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol is CC1CCCN1CC(C)(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol?
The InChIKey is FYYDZTUAMZKCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-7-4-3-5-13(7)6-8(2,14)9(10,11)12/h7,14H,3-6H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol?
1,1,1-trifluoro-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol has a molecular weight of 211.23 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-methyl-3-(2-methylpyrrolidin-1-yl)propan-2-ol is sourced from PubChem (CID 130487919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).