[(3R,4R)-1-tert-butyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol

C10H18F3NO — CID 118418789

IUPAC[(3R,4R)-1-tert-butyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
SMILESCC(C)(C)N1C[C@H](CO)[C@@H](C(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-9(2,3)14-4-7(6-15)8(5-14)10(11,12)13/h7-8,15H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyJJNGDQWWAZTQJN-SFYZADRCSA-N
MW225.25 g/mol
LogP1.89
Rot. Bonds1

About [(3R,4R)-1-tert-butyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol

[(3R,4R)-1-tert-butyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol (PubChem CID 118418789) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is [(3R,4R)-1-tert-butyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4R)-1-tert-butyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
PubChem CID118418789
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name[(3R,4R)-1-tert-butyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
SMILESCC(C)(C)N1C[C@H](CO)[C@@H](C(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-9(2,3)14-4-7(6-15)8(5-14)10(11,12)13/h7-8,15H,4-6H2,1-3H3/t7-,8+/m1/s1
InChIKeyJJNGDQWWAZTQJN-SFYZADRCSA-N
XLogP1.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-1-tert-butyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4R)-1-tert-butyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol (CID 118418789) is [(3R,4R)-1-tert-butyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4R)-1-tert-butyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4R)-1-tert-butyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol is CC(C)(C)N1C[C@H](CO)[C@@H](C(F)(F)F)C1.
What is the InChIKey of [(3R,4R)-1-tert-butyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol?
The InChIKey is JJNGDQWWAZTQJN-SFYZADRCSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-9(2,3)14-4-7(6-15)8(5-14)10(11,12)13/h7-8,15H,4-6H2,1-3H3/t7-,8+/m1/s1.
What are the key properties of [(3R,4R)-1-tert-butyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol?
[(3R,4R)-1-tert-butyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol has a molecular weight of 225.25 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-1-tert-butyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 118418789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).