1-pyrrolidin-1-yl-3-(2,3,5,6-tetrafluoroanilino)propan-2-ol

C13H16F4N2O — CID 107644260

IUPAC1-pyrrolidin-1-yl-3-(2,3,5,6-tetrafluoroanilino)propan-2-ol
SMILESOC(CNc1c(F)c(F)cc(F)c1F)CN1CCCC1
InChIInChI=1S/C13H16F4N2O/c14-9-5-10(15)12(17)13(11(9)16)18-6-8(20)7-19-3-1-2-4-19/h5,8,18,20H,1-4,6-7H2
InChIKeyGMRYVRAJTWYURQ-UHFFFAOYSA-N
MW292.28 g/mol
LogP2.11
Rot. Bonds5

About 1-pyrrolidin-1-yl-3-(2,3,5,6-tetrafluoroanilino)propan-2-ol

1-pyrrolidin-1-yl-3-(2,3,5,6-tetrafluoroanilino)propan-2-ol (PubChem CID 107644260) has the molecular formula C13H16F4N2O and a molecular weight of 292.28 g/mol. Its IUPAC name is 1-pyrrolidin-1-yl-3-(2,3,5,6-tetrafluoroanilino)propan-2-ol.

Molecular Properties

Compound Name1-pyrrolidin-1-yl-3-(2,3,5,6-tetrafluoroanilino)propan-2-ol
PubChem CID107644260
Molecular FormulaC13H16F4N2O
Molecular Weight292.28 g/mol
Exact Mass292.12
IUPAC Name1-pyrrolidin-1-yl-3-(2,3,5,6-tetrafluoroanilino)propan-2-ol
SMILESOC(CNc1c(F)c(F)cc(F)c1F)CN1CCCC1
InChIInChI=1S/C13H16F4N2O/c14-9-5-10(15)12(17)13(11(9)16)18-6-8(20)7-19-3-1-2-4-19/h5,8,18,20H,1-4,6-7H2
InChIKeyGMRYVRAJTWYURQ-UHFFFAOYSA-N
XLogP2.11
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-5-fluoroanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 107635655
1-morpholin-4-yl-3-(2,3,4-trifluoroanilino)propan-2-ol
CID 60896358
1-[(3,5-difluorophenyl)methyl]-3-(2-hydroxy-3-pyrrolidin-1-ylpropyl)urea
CID 119070737
1-(naphthalen-2-ylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60908807
1-[(3-fluoro-4-methylphenyl)methylamino]-3-pyrrolidin-1-ylpropan-2-ol
CID 110885348
6-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]-1,3-dimethylpyrimidine-2,4-dione
CID 11694833
1-pyrrolidin-1-yl-3-(thiophen-3-ylamino)propan-2-ol
CID 66352154
1,3-dipyrrolidin-1-ylpropan-2-ol
CID 57126359
4-chloro-2-[(2-hydroxy-3-pyrrolidin-1-ylpropyl)amino]benzonitrile
CID 64919645
1-(2,6-dichloroanilino)-3-morpholin-4-ylpropan-2-ol
CID 65468625
1-(4-fluoroanilino)-3-morpholin-4-ylpropan-2-ol
CID 60896474
1-(2-ethylanilino)-3-pyrrolidin-1-ylpropan-2-ol
CID 60901656

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-yl-3-(2,3,5,6-tetrafluoroanilino)propan-2-ol?
The IUPAC name of 1-pyrrolidin-1-yl-3-(2,3,5,6-tetrafluoroanilino)propan-2-ol (CID 107644260) is 1-pyrrolidin-1-yl-3-(2,3,5,6-tetrafluoroanilino)propan-2-ol.
What is the SMILES notation for 1-pyrrolidin-1-yl-3-(2,3,5,6-tetrafluoroanilino)propan-2-ol?
The canonical SMILES for 1-pyrrolidin-1-yl-3-(2,3,5,6-tetrafluoroanilino)propan-2-ol is OC(CNc1c(F)c(F)cc(F)c1F)CN1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-yl-3-(2,3,5,6-tetrafluoroanilino)propan-2-ol?
The InChIKey is GMRYVRAJTWYURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2O/c14-9-5-10(15)12(17)13(11(9)16)18-6-8(20)7-19-3-1-2-4-19/h5,8,18,20H,1-4,6-7H2.
What are the key properties of 1-pyrrolidin-1-yl-3-(2,3,5,6-tetrafluoroanilino)propan-2-ol?
1-pyrrolidin-1-yl-3-(2,3,5,6-tetrafluoroanilino)propan-2-ol has a molecular weight of 292.28 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-yl-3-(2,3,5,6-tetrafluoroanilino)propan-2-ol is sourced from PubChem (CID 107644260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).