1-(3,3,3-trifluoropropyl)pyrrolidine-3,4-diol

C7H12F3NO2 — CID 106672085

IUPAC1-(3,3,3-trifluoropropyl)pyrrolidine-3,4-diol
SMILESOC1CN(CCC(F)(F)F)CC1O
InChIInChI=1S/C7H12F3NO2/c8-7(9,10)1-2-11-3-5(12)6(13)4-11/h5-6,12-13H,1-4H2
InChIKeyQWZVTZQCQDQVDN-UHFFFAOYSA-N
MW199.17 g/mol
LogP-0.02
Rot. Bonds2

About 1-(3,3,3-trifluoropropyl)pyrrolidine-3,4-diol

1-(3,3,3-trifluoropropyl)pyrrolidine-3,4-diol (PubChem CID 106672085) has the molecular formula C7H12F3NO2 and a molecular weight of 199.17 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)pyrrolidine-3,4-diol
PubChem CID106672085
Molecular FormulaC7H12F3NO2
Molecular Weight199.17 g/mol
Exact Mass199.08
IUPAC Name1-(3,3,3-trifluoropropyl)pyrrolidine-3,4-diol
SMILESOC1CN(CCC(F)(F)F)CC1O
InChIInChI=1S/C7H12F3NO2/c8-7(9,10)1-2-11-3-5(12)6(13)4-11/h5-6,12-13H,1-4H2
InChIKeyQWZVTZQCQDQVDN-UHFFFAOYSA-N
XLogP-0.02
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-Pyrrolidinyl)propane-1,2-diol
CID 174452
(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-ol
CID 64116183
1-(2-Fluoroethyl)pyrrolidin-3-ol
CID 22436476
3-(3-Hydroxypyrrolidin-1-yl)propane-1,2-diol
CID 57486051
1-(2,2-Difluoroethyl)pyrrolidin-3-ol
CID 62918041
(3S)-1-(2,2-difluoroethyl)pyrrolidin-3-ol
CID 64115141
1-(3-Fluoropropyl)pyrrolidin-3-ol
CID 81113801
(3R,4S)-1-(2,2-difluoroethyl)pyrrolidine-3,4-diol
CID 79419670
(3R,4S)-1-ethylpyrrolidine-3,4-diol hydrochloride
CID 165475445
(3R,4S)-1-methylpyrrolidine-3,4-diol hydrochloride
CID 165694161
1-Hydroxymethyl-3-hydroxypyrrolidine
CID 19020439
1,1,1-Trifluoro-3-(pyrrolidin-1-yl)propan-2-ol
CID 558507

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(3,3,3-trifluoropropyl)pyrrolidine-3,4-diol (CID 106672085) is 1-(3,3,3-trifluoropropyl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)pyrrolidine-3,4-diol is OC1CN(CCC(F)(F)F)CC1O.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)pyrrolidine-3,4-diol?
The InChIKey is QWZVTZQCQDQVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO2/c8-7(9,10)1-2-11-3-5(12)6(13)4-11/h5-6,12-13H,1-4H2.
What are the key properties of 1-(3,3,3-trifluoropropyl)pyrrolidine-3,4-diol?
1-(3,3,3-trifluoropropyl)pyrrolidine-3,4-diol has a molecular weight of 199.17 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106672085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).