[(2S,4S)-1-methyl-4-(trifluoromethyl)pyrrolidin-2-yl]methanol

C7H12F3NO — CID 170901141

IUPAC[(2S,4S)-1-methyl-4-(trifluoromethyl)pyrrolidin-2-yl]methanol
SMILESCN1C[C@@H](C(F)(F)F)C[C@H]1CO
InChIInChI=1S/C7H12F3NO/c1-11-3-5(7(8,9)10)2-6(11)4-12/h5-6,12H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyXNNQFJNNFAFMSI-WDSKDSINSA-N
MW183.17 g/mol
LogP0.86
Rot. Bonds1

About [(2S,4S)-1-methyl-4-(trifluoromethyl)pyrrolidin-2-yl]methanol

[(2S,4S)-1-methyl-4-(trifluoromethyl)pyrrolidin-2-yl]methanol (PubChem CID 170901141) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is [(2S,4S)-1-methyl-4-(trifluoromethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-1-methyl-4-(trifluoromethyl)pyrrolidin-2-yl]methanol
PubChem CID170901141
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name[(2S,4S)-1-methyl-4-(trifluoromethyl)pyrrolidin-2-yl]methanol
SMILESCN1C[C@@H](C(F)(F)F)C[C@H]1CO
InChIInChI=1S/C7H12F3NO/c1-11-3-5(7(8,9)10)2-6(11)4-12/h5-6,12H,2-4H2,1H3/t5-,6-/m0/s1
InChIKeyXNNQFJNNFAFMSI-WDSKDSINSA-N
XLogP0.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-1-methyl-4-(trifluoromethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-1-methyl-4-(trifluoromethyl)pyrrolidin-2-yl]methanol (CID 170901141) is [(2S,4S)-1-methyl-4-(trifluoromethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-1-methyl-4-(trifluoromethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-1-methyl-4-(trifluoromethyl)pyrrolidin-2-yl]methanol is CN1C[C@@H](C(F)(F)F)C[C@H]1CO.
What is the InChIKey of [(2S,4S)-1-methyl-4-(trifluoromethyl)pyrrolidin-2-yl]methanol?
The InChIKey is XNNQFJNNFAFMSI-WDSKDSINSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-11-3-5(7(8,9)10)2-6(11)4-12/h5-6,12H,2-4H2,1H3/t5-,6-/m0/s1.
What are the key properties of [(2S,4S)-1-methyl-4-(trifluoromethyl)pyrrolidin-2-yl]methanol?
[(2S,4S)-1-methyl-4-(trifluoromethyl)pyrrolidin-2-yl]methanol has a molecular weight of 183.17 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-1-methyl-4-(trifluoromethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 170901141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).