1-(2,5-difluorophenyl)-2-(2,4,5-trifluoroanilino)ethanol

C14H10F5NO — CID 62815556

IUPAC1-(2,5-difluorophenyl)-2-(2,4,5-trifluoroanilino)ethanol
SMILESOC(CNc1cc(F)c(F)cc1F)c1cc(F)ccc1F
InChIInChI=1S/C14H10F5NO/c15-7-1-2-9(16)8(3-7)14(21)6-20-13-5-11(18)10(17)4-12(13)19/h1-5,14,20-21H,6H2
InChIKeySMQIDPWCABCCDA-UHFFFAOYSA-N
MW303.23 g/mol
LogP3.53
Rot. Bonds4

About 1-(2,5-difluorophenyl)-2-(2,4,5-trifluoroanilino)ethanol

1-(2,5-difluorophenyl)-2-(2,4,5-trifluoroanilino)ethanol (PubChem CID 62815556) has the molecular formula C14H10F5NO and a molecular weight of 303.23 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(2,4,5-trifluoroanilino)ethanol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(2,4,5-trifluoroanilino)ethanol
PubChem CID62815556
Molecular FormulaC14H10F5NO
Molecular Weight303.23 g/mol
Exact Mass303.07
IUPAC Name1-(2,5-difluorophenyl)-2-(2,4,5-trifluoroanilino)ethanol
SMILESOC(CNc1cc(F)c(F)cc1F)c1cc(F)ccc1F
InChIInChI=1S/C14H10F5NO/c15-7-1-2-9(16)8(3-7)14(21)6-20-13-5-11(18)10(17)4-12(13)19/h1-5,14,20-21H,6H2
InChIKeySMQIDPWCABCCDA-UHFFFAOYSA-N
XLogP3.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-difluorophenyl)-2-(3,4,5-trifluoroanilino)ethanol
CID 62811175
2-anilino-1-(2,5-difluorophenyl)ethanol
CID 55026297
2-(2,4-difluoroanilino)-1-(2-fluorophenyl)ethanol
CID 60901832
1-(2,5-difluorophenyl)-2-(methylamino)ethanol
CID 60904118
2-(2,6-difluoro-3-methylanilino)-1-(2,5-difluorophenyl)ethanol
CID 82801499
1-(4-chlorophenyl)-2-(2,5-difluoroanilino)ethanol
CID 60897122
1-(2,5-difluorophenyl)-2-(ethoxyamino)ethanol
CID 60969966
2-(4-bromo-3-chloroanilino)-1-(2,5-difluorophenyl)ethanol
CID 107619841
2-(1,3-benzodioxol-5-ylamino)-1-(2,5-difluorophenyl)ethanol
CID 60901510
2-(5-chloro-2-fluoroanilino)-1-(2-chlorophenyl)ethanol
CID 60909294
1-(2,5-difluorophenyl)-2-[1-(4-fluorophenyl)ethylamino]ethanol
CID 60980572
1-(2,5-difluorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethanol
CID 81347558

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(2,4,5-trifluoroanilino)ethanol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(2,4,5-trifluoroanilino)ethanol (CID 62815556) is 1-(2,5-difluorophenyl)-2-(2,4,5-trifluoroanilino)ethanol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(2,4,5-trifluoroanilino)ethanol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(2,4,5-trifluoroanilino)ethanol is OC(CNc1cc(F)c(F)cc1F)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(2,4,5-trifluoroanilino)ethanol?
The InChIKey is SMQIDPWCABCCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5NO/c15-7-1-2-9(16)8(3-7)14(21)6-20-13-5-11(18)10(17)4-12(13)19/h1-5,14,20-21H,6H2.
What are the key properties of 1-(2,5-difluorophenyl)-2-(2,4,5-trifluoroanilino)ethanol?
1-(2,5-difluorophenyl)-2-(2,4,5-trifluoroanilino)ethanol has a molecular weight of 303.23 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(2,4,5-trifluoroanilino)ethanol is sourced from PubChem (CID 62815556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).