2-(3-chloro-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol

C11H13ClF3NO — CID 106818131

IUPAC2-(3-chloro-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESCc1ccc(C(CO)NCC(F)(F)F)cc1Cl
InChIInChI=1S/C11H13ClF3NO/c1-7-2-3-8(4-9(7)12)10(5-17)16-6-11(13,14)15/h2-4,10,16-17H,5-6H2,1H3
InChIKeyVWHOFFGWXZESJK-UHFFFAOYSA-N
MW267.68 g/mol
LogP2.83
Rot. Bonds4

About 2-(3-chloro-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol

2-(3-chloro-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol (PubChem CID 106818131) has the molecular formula C11H13ClF3NO and a molecular weight of 267.68 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
PubChem CID106818131
Molecular FormulaC11H13ClF3NO
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC Name2-(3-chloro-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol
SMILESCc1ccc(C(CO)NCC(F)(F)F)cc1Cl
InChIInChI=1S/C11H13ClF3NO/c1-7-2-3-8(4-9(7)12)10(5-17)16-6-11(13,14)15/h2-4,10,16-17H,5-6H2,1H3
InChIKeyVWHOFFGWXZESJK-UHFFFAOYSA-N
XLogP2.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dichlorophenyl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 61044931
2-(3-chloro-4-methylphenyl)-2-[2-(diethylamino)ethylamino]ethanol
CID 106818142
[1-(3-chloro-4-methylphenyl)-4,4,4-trifluorobutyl]hydrazine
CID 105313900
2-(3-chloro-4-methylphenyl)-2-(4-methylanilino)ethanol
CID 106818133
2-(3-chloro-4-methylphenyl)-2-(2-methylanilino)ethanol
CID 106818134
2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethoxy)phenyl]ethanol
CID 61047319
2-(3-chloro-4-methylphenyl)-2-(3-methylanilino)ethanol
CID 106818139
2-(3-chloroanilino)-2-(3-chloro-4-methylphenyl)ethanol
CID 106818136
2-(2,2,2-trifluoroethylamino)-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol
CID 61047131
3-[1-(3,4-dichlorophenyl)propylamino]-2,2-difluoropropan-1-ol
CID 113463351
1-(3-chloro-4-methylphenyl)-3,3-dimethyl-N-propylbutan-1-amine
CID 107560280
2-(3,4-dichlorophenyl)-2-(2-methoxyethylamino)ethanol
CID 62543484

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol (CID 106818131) is 2-(3-chloro-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol is Cc1ccc(C(CO)NCC(F)(F)F)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol?
The InChIKey is VWHOFFGWXZESJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3NO/c1-7-2-3-8(4-9(7)12)10(5-17)16-6-11(13,14)15/h2-4,10,16-17H,5-6H2,1H3.
What are the key properties of 2-(3-chloro-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol?
2-(3-chloro-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol has a molecular weight of 267.68 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-2-(2,2,2-trifluoroethylamino)ethanol is sourced from PubChem (CID 106818131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).