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

C8H14F3NO2 — CID 106672376

IUPAC1-(4,4,4-trifluorobutyl)pyrrolidine-3,4-diol
SMILESOC1CN(CCCC(F)(F)F)CC1O
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)2-1-3-12-4-6(13)7(14)5-12/h6-7,13-14H,1-5H2
InChIKeyVUIHJYGUMGIQBS-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.37
Rot. Bonds3

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

1-(4,4,4-trifluorobutyl)pyrrolidine-3,4-diol (PubChem CID 106672376) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutyl)pyrrolidine-3,4-diol
PubChem CID106672376
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name1-(4,4,4-trifluorobutyl)pyrrolidine-3,4-diol
SMILESOC1CN(CCCC(F)(F)F)CC1O
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)2-1-3-12-4-6(13)7(14)5-12/h6-7,13-14H,1-5H2
InChIKeyVUIHJYGUMGIQBS-UHFFFAOYSA-N
XLogP0.37
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.37
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
1,1,1-Trifluoro-3-(pyrrolidin-1-yl)propan-2-ol
CID 558507
1-(3,4-Dihydroxypyrrolidin-1-yl)-2,2,2-trifluoroethanone
CID 21103637
(3R,4S)-1-Methylpyrrolidine-3,4-diol
CID 22866750
(3R)-1-(2-fluoroethyl)pyrrolidin-3-ol
CID 45087549

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trifluorobutyl)pyrrolidine-3,4-diol?
The IUPAC name of 1-(4,4,4-trifluorobutyl)pyrrolidine-3,4-diol (CID 106672376) is 1-(4,4,4-trifluorobutyl)pyrrolidine-3,4-diol.
What is the SMILES notation for 1-(4,4,4-trifluorobutyl)pyrrolidine-3,4-diol?
The canonical SMILES for 1-(4,4,4-trifluorobutyl)pyrrolidine-3,4-diol is OC1CN(CCCC(F)(F)F)CC1O.
What is the InChIKey of 1-(4,4,4-trifluorobutyl)pyrrolidine-3,4-diol?
The InChIKey is VUIHJYGUMGIQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c9-8(10,11)2-1-3-12-4-6(13)7(14)5-12/h6-7,13-14H,1-5H2.
What are the key properties of 1-(4,4,4-trifluorobutyl)pyrrolidine-3,4-diol?
1-(4,4,4-trifluorobutyl)pyrrolidine-3,4-diol has a molecular weight of 213.20 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluorobutyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 106672376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).