[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanol

C6H10F3NO — CID 70207388

IUPAC[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
SMILESOC[C@@H]1CNC[C@H]1C(F)(F)F
InChIInChI=1S/C6H10F3NO/c7-6(8,9)5-2-10-1-4(5)3-11/h4-5,10-11H,1-3H2/t4-,5+/m0/s1
InChIKeyFTCZDLFPXLYLEE-CRCLSJGQSA-N
MW169.15 g/mol
LogP0.38
Rot. Bonds1

About [(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanol

[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanol (PubChem CID 70207388) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is [(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
PubChem CID70207388
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
SMILESOC[C@@H]1CNC[C@H]1C(F)(F)F
InChIInChI=1S/C6H10F3NO/c7-6(8,9)5-2-10-1-4(5)3-11/h4-5,10-11H,1-3H2/t4-,5+/m0/s1
InChIKeyFTCZDLFPXLYLEE-CRCLSJGQSA-N
XLogP0.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanol (CID 70207388) is [(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanol is OC[C@@H]1CNC[C@H]1C(F)(F)F.
What is the InChIKey of [(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanol?
The InChIKey is FTCZDLFPXLYLEE-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H10F3NO/c7-6(8,9)5-2-10-1-4(5)3-11/h4-5,10-11H,1-3H2/t4-,5+/m0/s1.
What are the key properties of [(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanol?
[(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanol has a molecular weight of 169.15 g/mol, XLogP of 0.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4-(trifluoromethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 70207388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).