1,5-dimethyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol

C10H18F3NO — CID 115515692

IUPAC1,5-dimethyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol
SMILESCC1CC(O)(CCCC(F)(F)F)CN1C
InChIInChI=1S/C10H18F3NO/c1-8-6-9(15,7-14(8)2)4-3-5-10(11,12)13/h8,15H,3-7H2,1-2H3
InChIKeyKRKXBCVREGGBIN-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.17
Rot. Bonds3

About 1,5-dimethyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol

1,5-dimethyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol (PubChem CID 115515692) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1,5-dimethyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1,5-dimethyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol
PubChem CID115515692
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1,5-dimethyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol
SMILESCC1CC(O)(CCCC(F)(F)F)CN1C
InChIInChI=1S/C10H18F3NO/c1-8-6-9(15,7-14(8)2)4-3-5-10(11,12)13/h8,15H,3-7H2,1-2H3
InChIKeyKRKXBCVREGGBIN-UHFFFAOYSA-N
XLogP2.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol?
The IUPAC name of 1,5-dimethyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol (CID 115515692) is 1,5-dimethyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol.
What is the SMILES notation for 1,5-dimethyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol?
The canonical SMILES for 1,5-dimethyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol is CC1CC(O)(CCCC(F)(F)F)CN1C.
What is the InChIKey of 1,5-dimethyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol?
The InChIKey is KRKXBCVREGGBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-8-6-9(15,7-14(8)2)4-3-5-10(11,12)13/h8,15H,3-7H2,1-2H3.
What are the key properties of 1,5-dimethyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol?
1,5-dimethyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol has a molecular weight of 225.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol is sourced from PubChem (CID 115515692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).