[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol

C7H12F3NO — CID 10954178

IUPAC[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1CC(F)(F)F
InChIInChI=1S/C7H12F3NO/c8-7(9,10)5-11-3-1-2-6(11)4-12/h6,12H,1-5H2/t6-/m1/s1
InChIKeyDWDSSOCFCNITEP-ZCFIWIBFSA-N
MW183.17 g/mol
LogP1.01
Rot. Bonds2

About [(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol

[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol (PubChem CID 10954178) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is [(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol
PubChem CID10954178
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol
SMILESOC[C@H]1CCCN1CC(F)(F)F
InChIInChI=1S/C7H12F3NO/c8-7(9,10)5-11-3-1-2-6(11)4-12/h6,12H,1-5H2/t6-/m1/s1
InChIKeyDWDSSOCFCNITEP-ZCFIWIBFSA-N
XLogP1.01
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol (CID 10954178) is [(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol is OC[C@H]1CCCN1CC(F)(F)F.
What is the InChIKey of [(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol?
The InChIKey is DWDSSOCFCNITEP-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)5-11-3-1-2-6(11)4-12/h6,12H,1-5H2/t6-/m1/s1.
What are the key properties of [(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol?
[(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol has a molecular weight of 183.17 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 10954178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).