1-(1-tert-butylpyrrolidin-3-yl)-2,2-difluoroethanol

C10H19F2NO — CID 118880823

IUPAC1-(1-tert-butylpyrrolidin-3-yl)-2,2-difluoroethanol
SMILESCC(C)(C)N1CCC(C(O)C(F)F)C1
InChIInChI=1S/C10H19F2NO/c1-10(2,3)13-5-4-7(6-13)8(14)9(11)12/h7-9,14H,4-6H2,1-3H3
InChIKeyWDNSXQFGKMJUBZ-UHFFFAOYSA-N
MW207.26 g/mol
LogP1.73
Rot. Bonds2

About 1-(1-tert-butylpyrrolidin-3-yl)-2,2-difluoroethanol

1-(1-tert-butylpyrrolidin-3-yl)-2,2-difluoroethanol (PubChem CID 118880823) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 1-(1-tert-butylpyrrolidin-3-yl)-2,2-difluoroethanol.

Molecular Properties

Compound Name1-(1-tert-butylpyrrolidin-3-yl)-2,2-difluoroethanol
PubChem CID118880823
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name1-(1-tert-butylpyrrolidin-3-yl)-2,2-difluoroethanol
SMILESCC(C)(C)N1CCC(C(O)C(F)F)C1
InChIInChI=1S/C10H19F2NO/c1-10(2,3)13-5-4-7(6-13)8(14)9(11)12/h7-9,14H,4-6H2,1-3H3
InChIKeyWDNSXQFGKMJUBZ-UHFFFAOYSA-N
XLogP1.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1-tert-butylpyrrolidin-3-yl)-2,2-difluoroethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-tert-butylpyrrolidin-3-yl)-2,2-difluoroethanol?
The IUPAC name of 1-(1-tert-butylpyrrolidin-3-yl)-2,2-difluoroethanol (CID 118880823) is 1-(1-tert-butylpyrrolidin-3-yl)-2,2-difluoroethanol.
What is the SMILES notation for 1-(1-tert-butylpyrrolidin-3-yl)-2,2-difluoroethanol?
The canonical SMILES for 1-(1-tert-butylpyrrolidin-3-yl)-2,2-difluoroethanol is CC(C)(C)N1CCC(C(O)C(F)F)C1.
What is the InChIKey of 1-(1-tert-butylpyrrolidin-3-yl)-2,2-difluoroethanol?
The InChIKey is WDNSXQFGKMJUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c1-10(2,3)13-5-4-7(6-13)8(14)9(11)12/h7-9,14H,4-6H2,1-3H3.
What are the key properties of 1-(1-tert-butylpyrrolidin-3-yl)-2,2-difluoroethanol?
1-(1-tert-butylpyrrolidin-3-yl)-2,2-difluoroethanol has a molecular weight of 207.26 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-tert-butylpyrrolidin-3-yl)-2,2-difluoroethanol is sourced from PubChem (CID 118880823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).