1-[3-(ethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)pyrrolidin-3-ol

C12H23F3N2O — CID 112737798

IUPAC1-[3-(ethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCCNCC(C)(C)CN1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O/c1-4-16-7-10(2,3)8-17-6-5-11(18,9-17)12(13,14)15/h16,18H,4-9H2,1-3H3
InChIKeyDZNXRKINIVAPOE-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.62
Rot. Bonds5

About 1-[3-(ethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)pyrrolidin-3-ol

1-[3-(ethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 112737798) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-[3-(ethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[3-(ethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID112737798
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name1-[3-(ethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCCNCC(C)(C)CN1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C12H23F3N2O/c1-4-16-7-10(2,3)8-17-6-5-11(18,9-17)12(13,14)15/h16,18H,4-9H2,1-3H3
InChIKeyDZNXRKINIVAPOE-UHFFFAOYSA-N
XLogP1.62
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of 1-[3-(ethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)pyrrolidin-3-ol (CID 112737798) is 1-[3-(ethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-[3-(ethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-[3-(ethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)pyrrolidin-3-ol is CCNCC(C)(C)CN1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 1-[3-(ethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is DZNXRKINIVAPOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-4-16-7-10(2,3)8-17-6-5-11(18,9-17)12(13,14)15/h16,18H,4-9H2,1-3H3.
What are the key properties of 1-[3-(ethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)pyrrolidin-3-ol?
1-[3-(ethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 268.32 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethylamino)-2,2-dimethylpropyl]-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 112737798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).