2-(2,3,4,5,6-pentafluoro-N-propylanilino)ethanol

C11H12F5NO — CID 61425430

IUPAC2-(2,3,4,5,6-pentafluoro-N-propylanilino)ethanol
SMILESCCCN(CCO)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H12F5NO/c1-2-3-17(4-5-18)11-9(15)7(13)6(12)8(14)10(11)16/h18H,2-5H2,1H3
InChIKeyHRNIITXIHHFEDX-UHFFFAOYSA-N
MW269.21 g/mol
LogP2.59
Rot. Bonds5

About 2-(2,3,4,5,6-pentafluoro-N-propylanilino)ethanol

2-(2,3,4,5,6-pentafluoro-N-propylanilino)ethanol (PubChem CID 61425430) has the molecular formula C11H12F5NO and a molecular weight of 269.21 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentafluoro-N-propylanilino)ethanol.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentafluoro-N-propylanilino)ethanol
PubChem CID61425430
Molecular FormulaC11H12F5NO
Molecular Weight269.21 g/mol
Exact Mass269.08
IUPAC Name2-(2,3,4,5,6-pentafluoro-N-propylanilino)ethanol
SMILESCCCN(CCO)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C11H12F5NO/c1-2-3-17(4-5-18)11-9(15)7(13)6(12)8(14)10(11)16/h18H,2-5H2,1H3
InChIKeyHRNIITXIHHFEDX-UHFFFAOYSA-N
XLogP2.59
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(N-butyl-2,3,4,5,6-pentafluoroanilino)ethanol
CID 61447886
2,3,4,6-tetrafluoro-5-methyl-N,N-dipropylaniline
CID 22637585
boric acid;tetrakis(1,2,3,4,5-pentafluoro-6-(2,3,4,5,6-pentafluorophenyl)benzene);tris(2,3,4,6-tetrafluoro-5-methyl-N,N-dipropylaniline)
CID 173225240
2,3,4,5,6-pentafluoro-N-nonadecyl-N-octadecylaniline
CID 175415242
2,3,4,5-tetrafluoro-N-hexyl-6-(2,3,4,5,6-pentafluorophenyl)-N-propylaniline
CID 141039655
2-[2,6-difluoro-4-[(propan-2-ylamino)methyl]-N-propylanilino]ethanol
CID 63075915
2-[(2,3,4,5,6-pentafluorophenyl)methyl-propylamino]ethanol
CID 60692253
2-(4-amino-2,6-dichloro-N-propylanilino)ethanol
CID 106890073
2-[(3-fluoro-2-pyridinyl)-propylamino]ethanol
CID 62734185
4-(chloromethyl)-2,6-difluoro-N,N-dipropylaniline
CID 63539614
2-(dipropylamino)-3,5,6-trifluorobenzene-1,4-dicarbonitrile
CID 3050970
(1R)-1-[5-fluoro-2-[2-hydroxyethyl(propyl)amino]phenyl]ethanol
CID 63371229

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4,5,6-pentafluoro-N-propylanilino)ethanol?
The IUPAC name of 2-(2,3,4,5,6-pentafluoro-N-propylanilino)ethanol (CID 61425430) is 2-(2,3,4,5,6-pentafluoro-N-propylanilino)ethanol.
What is the SMILES notation for 2-(2,3,4,5,6-pentafluoro-N-propylanilino)ethanol?
The canonical SMILES for 2-(2,3,4,5,6-pentafluoro-N-propylanilino)ethanol is CCCN(CCO)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 2-(2,3,4,5,6-pentafluoro-N-propylanilino)ethanol?
The InChIKey is HRNIITXIHHFEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F5NO/c1-2-3-17(4-5-18)11-9(15)7(13)6(12)8(14)10(11)16/h18H,2-5H2,1H3.
What are the key properties of 2-(2,3,4,5,6-pentafluoro-N-propylanilino)ethanol?
2-(2,3,4,5,6-pentafluoro-N-propylanilino)ethanol has a molecular weight of 269.21 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6-pentafluoro-N-propylanilino)ethanol is sourced from PubChem (CID 61425430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).