3-(1-tert-butyl-4,4-difluoro-2-methylpyrrolidin-2-yl)propan-1-ol

C12H23F2NO — CID 175500128

IUPAC3-(1-tert-butyl-4,4-difluoro-2-methylpyrrolidin-2-yl)propan-1-ol
SMILESCC(C)(C)N1CC(F)(F)CC1(C)CCCO
InChIInChI=1S/C12H23F2NO/c1-10(2,3)15-9-12(13,14)8-11(15,4)6-5-7-16/h16H,5-9H2,1-4H3
InChIKeyGFYYNKAAIKAXOF-UHFFFAOYSA-N
MW235.32 g/mol
LogP2.66
Rot. Bonds3

About 3-(1-tert-butyl-4,4-difluoro-2-methylpyrrolidin-2-yl)propan-1-ol

3-(1-tert-butyl-4,4-difluoro-2-methylpyrrolidin-2-yl)propan-1-ol (PubChem CID 175500128) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is 3-(1-tert-butyl-4,4-difluoro-2-methylpyrrolidin-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(1-tert-butyl-4,4-difluoro-2-methylpyrrolidin-2-yl)propan-1-ol
PubChem CID175500128
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC Name3-(1-tert-butyl-4,4-difluoro-2-methylpyrrolidin-2-yl)propan-1-ol
SMILESCC(C)(C)N1CC(F)(F)CC1(C)CCCO
InChIInChI=1S/C12H23F2NO/c1-10(2,3)15-9-12(13,14)8-11(15,4)6-5-7-16/h16H,5-9H2,1-4H3
InChIKeyGFYYNKAAIKAXOF-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3S)-5,5-dimethyl-1-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-3-yl]propan-1-ol
CID 156089047
(1,2-Diethyl-4,4-difluoropyrrolidin-2-yl)methanol
CID 166534101
Ethane;(2-ethyl-4,4-difluoro-1-methylpyrrolidin-2-yl)methanol
CID 170771705
4-(1-Tert-butyl-3-fluoropyrrolidin-3-yl)butan-1-ol
CID 178599958
3-[(2R)-2-ethyl-4,4-difluoro-2-(2-methylpropyl)pyrrolidin-1-yl]propan-1-ol
CID 178734850
3-[1-(2,2-Difluoroethyl)pyrrolidin-2-yl]propan-1-ol
CID 62467257
3-[1-(2,2,2-Trifluoroethyl)pyrrolidin-2-yl]propan-1-ol
CID 62468165
3-[1-(3,3,3-Trifluoropropyl)pyrrolidin-2-yl]propan-1-ol
CID 64568001
5-Ethyl-1,1,1-trifluoro-5-pyrrolidin-1-ylheptan-4-ol
CID 79067574
1,1,1-Trifluoro-5-methyl-5-pyrrolidin-1-ylheptan-4-ol
CID 79068937
2-Fluoro-3-(1-methylpyrrolidin-2-yl)propan-1-ol
CID 105431682
2,2-Difluoro-3-(1-methylpyrrolidin-2-yl)propan-1-ol
CID 105437946

Frequently Asked Questions

What is the IUPAC name of 3-(1-tert-butyl-4,4-difluoro-2-methylpyrrolidin-2-yl)propan-1-ol?
The IUPAC name of 3-(1-tert-butyl-4,4-difluoro-2-methylpyrrolidin-2-yl)propan-1-ol (CID 175500128) is 3-(1-tert-butyl-4,4-difluoro-2-methylpyrrolidin-2-yl)propan-1-ol.
What is the SMILES notation for 3-(1-tert-butyl-4,4-difluoro-2-methylpyrrolidin-2-yl)propan-1-ol?
The canonical SMILES for 3-(1-tert-butyl-4,4-difluoro-2-methylpyrrolidin-2-yl)propan-1-ol is CC(C)(C)N1CC(F)(F)CC1(C)CCCO.
What is the InChIKey of 3-(1-tert-butyl-4,4-difluoro-2-methylpyrrolidin-2-yl)propan-1-ol?
The InChIKey is GFYYNKAAIKAXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO/c1-10(2,3)15-9-12(13,14)8-11(15,4)6-5-7-16/h16H,5-9H2,1-4H3.
What are the key properties of 3-(1-tert-butyl-4,4-difluoro-2-methylpyrrolidin-2-yl)propan-1-ol?
3-(1-tert-butyl-4,4-difluoro-2-methylpyrrolidin-2-yl)propan-1-ol has a molecular weight of 235.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tert-butyl-4,4-difluoro-2-methylpyrrolidin-2-yl)propan-1-ol is sourced from PubChem (CID 175500128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).