1-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]ethanol

C10H19F2NO — CID 155201055

IUPAC1-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]ethanol
SMILESCC(O)[C@H]1CC(F)(F)CN1C(C)(C)C
InChIInChI=1S/C10H19F2NO/c1-7(14)8-5-10(11,12)6-13(8)9(2,3)4/h7-8,14H,5-6H2,1-4H3/t7?,8-/m1/s1
InChIKeyKKWZHHTYOVWAQR-BRFYHDHCSA-N
MW207.26 g/mol
LogP1.88
Rot. Bonds1

About 1-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]ethanol

1-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]ethanol (PubChem CID 155201055) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 1-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]ethanol.

Molecular Properties

Compound Name1-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]ethanol
PubChem CID155201055
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name1-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]ethanol
SMILESCC(O)[C@H]1CC(F)(F)CN1C(C)(C)C
InChIInChI=1S/C10H19F2NO/c1-7(14)8-5-10(11,12)6-13(8)9(2,3)4/h7-8,14H,5-6H2,1-4H3/t7?,8-/m1/s1
InChIKeyKKWZHHTYOVWAQR-BRFYHDHCSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]ethanol?
The IUPAC name of 1-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]ethanol (CID 155201055) is 1-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]ethanol.
What is the SMILES notation for 1-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]ethanol?
The canonical SMILES for 1-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]ethanol is CC(O)[C@H]1CC(F)(F)CN1C(C)(C)C.
What is the InChIKey of 1-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]ethanol?
The InChIKey is KKWZHHTYOVWAQR-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-7(14)8-5-10(11,12)6-13(8)9(2,3)4/h7-8,14H,5-6H2,1-4H3/t7?,8-/m1/s1.
What are the key properties of 1-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]ethanol?
1-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]ethanol has a molecular weight of 207.26 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-1-tert-butyl-4,4-difluoropyrrolidin-2-yl]ethanol is sourced from PubChem (CID 155201055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).