2-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanol

C10H10Cl2F3NO — CID 61044931

IUPAC2-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESOCC(NCC(F)(F)F)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H10Cl2F3NO/c11-7-1-6(2-8(12)3-7)9(4-17)16-5-10(13,14)15/h1-3,9,16-17H,4-5H2
InChIKeyCVLVPUDURZTXEY-UHFFFAOYSA-N
MW288.10 g/mol
LogP3.18
Rot. Bonds4

About 2-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanol

2-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanol (PubChem CID 61044931) has the molecular formula C10H10Cl2F3NO and a molecular weight of 288.10 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanol.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanol
PubChem CID61044931
Molecular FormulaC10H10Cl2F3NO
Molecular Weight288.10 g/mol
Exact Mass287.01
IUPAC Name2-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESOCC(NCC(F)(F)F)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H10Cl2F3NO/c11-7-1-6(2-8(12)3-7)9(4-17)16-5-10(13,14)15/h1-3,9,16-17H,4-5H2
InChIKeyCVLVPUDURZTXEY-UHFFFAOYSA-N
XLogP3.18
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.10
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 106818131
2-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)acetonitrile
CID 54893107
2-(2,2,2-trifluoroethylamino)-2-(2,4,5-trifluorophenyl)ethanol
CID 114058089
2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61047319
2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol
CID 61047131
1-(3,5-dichlorophenyl)-N-ethyl-5,5,5-trifluoropentan-1-amine
CID 105024119
2-(3,5-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 61056763
2-(3,5-dichlorophenyl)-2-(4-fluoroanilino)ethanol
CID 61048365
2-(cyclopropylamino)-2-(3,5-dichlorophenyl)ethanol
CID 61056839
1-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]-3-(2,2,2-trifluoroethyl)urea
CID 111427361
2-(5-bromothiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 61346044
2-(5-methylthiophen-2-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 61346981

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanol?
The IUPAC name of 2-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanol (CID 61044931) is 2-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanol.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanol?
The canonical SMILES for 2-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanol is OCC(NCC(F)(F)F)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanol?
The InChIKey is CVLVPUDURZTXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2F3NO/c11-7-1-6(2-8(12)3-7)9(4-17)16-5-10(13,14)15/h1-3,9,16-17H,4-5H2.
What are the key properties of 2-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanol?
2-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanol has a molecular weight of 288.10 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanol is sourced from PubChem (CID 61044931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).