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

C7H12F3NO — CID 64566987

IUPAC3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol
SMILESOC1(CCC(F)(F)F)CCNC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)2-1-6(12)3-4-11-5-6/h11-12H,1-5H2
InChIKeyMLWSVBKECFTNPE-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.05
Rot. Bonds2

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

3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol (PubChem CID 64566987) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol
PubChem CID64566987
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol
SMILESOC1(CCC(F)(F)F)CCNC1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)2-1-6(12)3-4-11-5-6/h11-12H,1-5H2
InChIKeyMLWSVBKECFTNPE-UHFFFAOYSA-N
XLogP1.05
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol?
The IUPAC name of 3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol (CID 64566987) is 3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol?
The canonical SMILES for 3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol is OC1(CCC(F)(F)F)CCNC1.
What is the InChIKey of 3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol?
The InChIKey is MLWSVBKECFTNPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)2-1-6(12)3-4-11-5-6/h11-12H,1-5H2.
What are the key properties of 3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol?
3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol has a molecular weight of 183.17 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropyl)pyrrolidin-3-ol is sourced from PubChem (CID 64566987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).