2-chloro-5-(2,2,2-trifluoroethylamino)phenol

C8H7ClF3NO — CID 22034811

IUPAC2-chloro-5-(2,2,2-trifluoroethylamino)phenol
SMILESOc1cc(NCC(F)(F)F)ccc1Cl
InChIInChI=1S/C8H7ClF3NO/c9-6-2-1-5(3-7(6)14)13-4-8(10,11)12/h1-3,13-14H,4H2
InChIKeyKSNXIEVAOOZTGY-UHFFFAOYSA-N
MW225.60 g/mol
LogP3.02
Rot. Bonds2

About 2-chloro-5-(2,2,2-trifluoroethylamino)phenol

2-chloro-5-(2,2,2-trifluoroethylamino)phenol (PubChem CID 22034811) has the molecular formula C8H7ClF3NO and a molecular weight of 225.60 g/mol. Its IUPAC name is 2-chloro-5-(2,2,2-trifluoroethylamino)phenol.

Molecular Properties

Compound Name2-chloro-5-(2,2,2-trifluoroethylamino)phenol
PubChem CID22034811
Molecular FormulaC8H7ClF3NO
Molecular Weight225.60 g/mol
Exact Mass225.02
IUPAC Name2-chloro-5-(2,2,2-trifluoroethylamino)phenol
SMILESOc1cc(NCC(F)(F)F)ccc1Cl
InChIInChI=1S/C8H7ClF3NO/c9-6-2-1-5(3-7(6)14)13-4-8(10,11)12/h1-3,13-14H,4H2
InChIKeyKSNXIEVAOOZTGY-UHFFFAOYSA-N
XLogP3.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3-hydroxyphenyl)-3-(2,2,2-trifluoroethyl)urea
CID 113463001
N-(4-chloro-3-hydroxyphenyl)-3,3,3-trifluoropropanamide
CID 64786329
5-(benzylamino)-2-chlorophenol
CID 68679266
2-chloro-5-hydrazinylphenol
CID 11182764
N-(2,2,2-trifluoroethyl)-1-benzothiophen-5-amine
CID 65475860
2-amino-4-(2,2,2-trifluoroethylamino)benzenesulfonamide
CID 79467392
4-(2,2,2-trifluoroethylamino)-2-(trifluoromethyl)benzoic acid
CID 62709766
4-bromo-3-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 28574797
4-iodo-3-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 166607276
N-(2,2,2-trifluoroethyl)aniline
CID 9596
1-N-(3,4-dichlorophenyl)-2-methylpropane-1,2-diamine
CID 73013427
2-methyl-4-(2,2,2-trifluoroethylamino)benzenecarbothioamide
CID 81278451

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2,2,2-trifluoroethylamino)phenol?
The IUPAC name of 2-chloro-5-(2,2,2-trifluoroethylamino)phenol (CID 22034811) is 2-chloro-5-(2,2,2-trifluoroethylamino)phenol.
What is the SMILES notation for 2-chloro-5-(2,2,2-trifluoroethylamino)phenol?
The canonical SMILES for 2-chloro-5-(2,2,2-trifluoroethylamino)phenol is Oc1cc(NCC(F)(F)F)ccc1Cl.
What is the InChIKey of 2-chloro-5-(2,2,2-trifluoroethylamino)phenol?
The InChIKey is KSNXIEVAOOZTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO/c9-6-2-1-5(3-7(6)14)13-4-8(10,11)12/h1-3,13-14H,4H2.
What are the key properties of 2-chloro-5-(2,2,2-trifluoroethylamino)phenol?
2-chloro-5-(2,2,2-trifluoroethylamino)phenol has a molecular weight of 225.60 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2,2,2-trifluoroethylamino)phenol is sourced from PubChem (CID 22034811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).