1-cyclopropyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol

C11H18F3NO — CID 115515289

IUPAC1-cyclopropyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol
SMILESOC1(CCCC(F)(F)F)CCN(C2CC2)C1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)5-1-4-10(16)6-7-15(8-10)9-2-3-9/h9,16H,1-8H2
InChIKeyQLESDSPLMLVNMV-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.32
Rot. Bonds4

About 1-cyclopropyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol

1-cyclopropyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol (PubChem CID 115515289) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol
PubChem CID115515289
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name1-cyclopropyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol
SMILESOC1(CCCC(F)(F)F)CCN(C2CC2)C1
InChIInChI=1S/C11H18F3NO/c12-11(13,14)5-1-4-10(16)6-7-15(8-10)9-2-3-9/h9,16H,1-8H2
InChIKeyQLESDSPLMLVNMV-UHFFFAOYSA-N
XLogP2.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol?
The IUPAC name of 1-cyclopropyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol (CID 115515289) is 1-cyclopropyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-cyclopropyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol?
The canonical SMILES for 1-cyclopropyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol is OC1(CCCC(F)(F)F)CCN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol?
The InChIKey is QLESDSPLMLVNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c12-11(13,14)5-1-4-10(16)6-7-15(8-10)9-2-3-9/h9,16H,1-8H2.
What are the key properties of 1-cyclopropyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol?
1-cyclopropyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol has a molecular weight of 237.26 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4,4,4-trifluorobutyl)pyrrolidin-3-ol is sourced from PubChem (CID 115515289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).