1-tert-butyl-3-(trifluoromethyl)pyrrolidin-3-ol

C9H16F3NO — CID 139475044

IUPAC1-tert-butyl-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCC(C)(C)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-7(2,3)13-5-4-8(14,6-13)9(10,11)12/h14H,4-6H2,1-3H3
InChIKeyBZHIEQIRPMDFRJ-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.78
Rot. Bonds

About 1-tert-butyl-3-(trifluoromethyl)pyrrolidin-3-ol

1-tert-butyl-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 139475044) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 1-tert-butyl-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-tert-butyl-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID139475044
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name1-tert-butyl-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESCC(C)(C)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C9H16F3NO/c1-7(2,3)13-5-4-8(14,6-13)9(10,11)12/h14H,4-6H2,1-3H3
InChIKeyBZHIEQIRPMDFRJ-UHFFFAOYSA-N
XLogP1.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of 1-tert-butyl-3-(trifluoromethyl)pyrrolidin-3-ol (CID 139475044) is 1-tert-butyl-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-tert-butyl-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-tert-butyl-3-(trifluoromethyl)pyrrolidin-3-ol is CC(C)(C)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of 1-tert-butyl-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is BZHIEQIRPMDFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-7(2,3)13-5-4-8(14,6-13)9(10,11)12/h14H,4-6H2,1-3H3.
What are the key properties of 1-tert-butyl-3-(trifluoromethyl)pyrrolidin-3-ol?
1-tert-butyl-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 211.23 g/mol, XLogP of 1.78, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 139475044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).