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

C8H14F3NO — CID 103728376

IUPAC3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-ol
SMILESCC1(O)CCN(CCC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c1-7(13)2-4-12(6-7)5-3-8(9,10)11/h13H,2-6H2,1H3
InChIKeyZSSLUTSMRVEQDD-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.40
Rot. Bonds2

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

3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-ol (PubChem CID 103728376) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-ol
PubChem CID103728376
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-ol
SMILESCC1(O)CCN(CCC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c1-7(13)2-4-12(6-7)5-3-8(9,10)11/h13H,2-6H2,1H3
InChIKeyZSSLUTSMRVEQDD-UHFFFAOYSA-N
XLogP1.40
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-ol?
The IUPAC name of 3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-ol (CID 103728376) is 3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-ol?
The canonical SMILES for 3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-ol is CC1(O)CCN(CCC(F)(F)F)C1.
What is the InChIKey of 3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-ol?
The InChIKey is ZSSLUTSMRVEQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-7(13)2-4-12(6-7)5-3-8(9,10)11/h13H,2-6H2,1H3.
What are the key properties of 3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-ol?
3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-ol has a molecular weight of 197.20 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-ol is sourced from PubChem (CID 103728376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).