1-cyclopropyl-3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol

C10H16F3NO — CID 64566579

IUPAC1-cyclopropyl-3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol
SMILESOC1(CCC(F)(F)F)CCN(C2CC2)C1
InChIInChI=1S/C10H16F3NO/c11-10(12,13)4-3-9(15)5-6-14(7-9)8-1-2-8/h8,15H,1-7H2
InChIKeyVVZVDJQKQILSPT-UHFFFAOYSA-N
MW223.24 g/mol
LogP1.93
Rot. Bonds3

About 1-cyclopropyl-3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol

1-cyclopropyl-3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol (PubChem CID 64566579) has the molecular formula C10H16F3NO and a molecular weight of 223.24 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-cyclopropyl-3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol
PubChem CID64566579
Molecular FormulaC10H16F3NO
Molecular Weight223.24 g/mol
Exact Mass223.12
IUPAC Name1-cyclopropyl-3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol
SMILESOC1(CCC(F)(F)F)CCN(C2CC2)C1
InChIInChI=1S/C10H16F3NO/c11-10(12,13)4-3-9(15)5-6-14(7-9)8-1-2-8/h8,15H,1-7H2
InChIKeyVVZVDJQKQILSPT-UHFFFAOYSA-N
XLogP1.93
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.24
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol?
The IUPAC name of 1-cyclopropyl-3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol (CID 64566579) is 1-cyclopropyl-3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-cyclopropyl-3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol?
The canonical SMILES for 1-cyclopropyl-3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol is OC1(CCC(F)(F)F)CCN(C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol?
The InChIKey is VVZVDJQKQILSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO/c11-10(12,13)4-3-9(15)5-6-14(7-9)8-1-2-8/h8,15H,1-7H2.
What are the key properties of 1-cyclopropyl-3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol?
1-cyclopropyl-3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol has a molecular weight of 223.24 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol is sourced from PubChem (CID 64566579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).