1-(2,5-dichlorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol

C10H10Cl2F3NO2 — CID 82722510

IUPAC1-(2,5-dichlorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol
SMILESOC(CNOCC(F)(F)F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H10Cl2F3NO2/c11-6-1-2-8(12)7(3-6)9(17)4-16-18-5-10(13,14)15/h1-3,9,16-17H,4-5H2
InChIKeyCRRZEEHDNGNXQS-UHFFFAOYSA-N
MW304.10 g/mol
LogP3.11
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol

1-(2,5-dichlorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol (PubChem CID 82722510) has the molecular formula C10H10Cl2F3NO2 and a molecular weight of 304.10 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol
PubChem CID82722510
Molecular FormulaC10H10Cl2F3NO2
Molecular Weight304.10 g/mol
Exact Mass303.00
IUPAC Name1-(2,5-dichlorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol
SMILESOC(CNOCC(F)(F)F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H10Cl2F3NO2/c11-6-1-2-8(12)7(3-6)9(17)4-16-18-5-10(13,14)15/h1-3,9,16-17H,4-5H2
InChIKeyCRRZEEHDNGNXQS-UHFFFAOYSA-N
XLogP3.11
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.10
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2,5-dichlorophenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 103474160
1-(2,6-difluorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol
CID 82723098
1-(3,4-dichlorophenoxy)-3-(2,2,2-trifluoroethoxyamino)propan-2-ol
CID 82721381
1-(2,5-dichlorophenyl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103207255
1-[(4-chlorophenyl)methoxy]-3-(2,2,2-trifluoroethoxyamino)propan-2-ol
CID 82721875
2-amino-1-(2,5-dichlorophenyl)ethanol
CID 18628108
2-(cyclopentylmethylamino)-1-(2,5-dichlorophenyl)ethanol
CID 60900468
1-[2-chloro-5-(trifluoromethyl)phenyl]-2-(methylamino)ethanol
CID 84707989
2-(benzylamino)-1-(2,5-dichlorophenyl)ethanol
CID 60896669
1-(2,5-dichlorophenyl)-2-(1-methoxypropan-2-ylamino)ethanol
CID 60897086
1-(2,5-dichlorophenyl)-3-methoxy-3-methylbutan-1-ol
CID 103027501
1-[[2-(2,5-dichlorophenyl)-2-hydroxyethyl]amino]-2-methylbutan-2-ol
CID 65106659

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol (CID 82722510) is 1-(2,5-dichlorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol is OC(CNOCC(F)(F)F)c1cc(Cl)ccc1Cl.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol?
The InChIKey is CRRZEEHDNGNXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2F3NO2/c11-6-1-2-8(12)7(3-6)9(17)4-16-18-5-10(13,14)15/h1-3,9,16-17H,4-5H2.
What are the key properties of 1-(2,5-dichlorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol?
1-(2,5-dichlorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol has a molecular weight of 304.10 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-(2,2,2-trifluoroethoxyamino)ethanol is sourced from PubChem (CID 82722510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).