1-(2,2,3,3-tetrafluoropropyl)-3-(trifluoromethyl)pyrrolidin-3-ol

C8H10F7NO — CID 113251757

IUPAC1-(2,2,3,3-tetrafluoropropyl)-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESOC1(C(F)(F)F)CCN(CC(F)(F)C(F)F)C1
InChIInChI=1S/C8H10F7NO/c9-5(10)7(11,12)4-16-2-1-6(17,3-16)8(13,14)15/h5,17H,1-4H2
InChIKeyNJRJRWJVFLAHHI-UHFFFAOYSA-N
MW269.16 g/mol
LogP1.89
Rot. Bonds3

About 1-(2,2,3,3-tetrafluoropropyl)-3-(trifluoromethyl)pyrrolidin-3-ol

1-(2,2,3,3-tetrafluoropropyl)-3-(trifluoromethyl)pyrrolidin-3-ol (PubChem CID 113251757) has the molecular formula C8H10F7NO and a molecular weight of 269.16 g/mol. Its IUPAC name is 1-(2,2,3,3-tetrafluoropropyl)-3-(trifluoromethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2,2,3,3-tetrafluoropropyl)-3-(trifluoromethyl)pyrrolidin-3-ol
PubChem CID113251757
Molecular FormulaC8H10F7NO
Molecular Weight269.16 g/mol
Exact Mass269.07
IUPAC Name1-(2,2,3,3-tetrafluoropropyl)-3-(trifluoromethyl)pyrrolidin-3-ol
SMILESOC1(C(F)(F)F)CCN(CC(F)(F)C(F)F)C1
InChIInChI=1S/C8H10F7NO/c9-5(10)7(11,12)4-16-2-1-6(17,3-16)8(13,14)15/h5,17H,1-4H2
InChIKeyNJRJRWJVFLAHHI-UHFFFAOYSA-N
XLogP1.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.16
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 129321905
1-(2-bromoethyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 130524207
1-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]propan-2-one
CID 126978498
5-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]pentanenitrile
CID 86778545
(3S)-1-(3-methoxypropyl)-3-(trifluoromethyl)pyrrolidin-3-ol
CID 97221959
1-ethyl-3-(trifluoromethyl)piperidin-3-ol
CID 89019254
1-(2-aminoethyl)-4-(trifluoromethyl)piperidin-4-ol
CID 121203305
1-[(3-methylpyrrolidin-3-yl)methyl]-3-(trifluoromethyl)pyrrolidin-3-ol;hydrochloride
CID 120900966
1-propyl-3-(trifluoromethyl)piperidin-3-ol
CID 175945358
4-(2,2,3,3-tetrafluoropropyl)morpholine
CID 12554036
N-(cyanomethyl)-2-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]acetamide
CID 113247488
2-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]acetic acid
CID 119135540

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,3,3-tetrafluoropropyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The IUPAC name of 1-(2,2,3,3-tetrafluoropropyl)-3-(trifluoromethyl)pyrrolidin-3-ol (CID 113251757) is 1-(2,2,3,3-tetrafluoropropyl)-3-(trifluoromethyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(2,2,3,3-tetrafluoropropyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(2,2,3,3-tetrafluoropropyl)-3-(trifluoromethyl)pyrrolidin-3-ol is OC1(C(F)(F)F)CCN(CC(F)(F)C(F)F)C1.
What is the InChIKey of 1-(2,2,3,3-tetrafluoropropyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
The InChIKey is NJRJRWJVFLAHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F7NO/c9-5(10)7(11,12)4-16-2-1-6(17,3-16)8(13,14)15/h5,17H,1-4H2.
What are the key properties of 1-(2,2,3,3-tetrafluoropropyl)-3-(trifluoromethyl)pyrrolidin-3-ol?
1-(2,2,3,3-tetrafluoropropyl)-3-(trifluoromethyl)pyrrolidin-3-ol has a molecular weight of 269.16 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetrafluoropropyl)-3-(trifluoromethyl)pyrrolidin-3-ol is sourced from PubChem (CID 113251757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).