(Z)-2-amino-2-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethenethiol

C10H9ClF3NOS — CID 89304668

IUPAC(Z)-2-amino-2-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethenethiol
SMILESN/C(=C\S)c1ccc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C10H9ClF3NOS/c11-7-3-6(8(15)4-17)1-2-9(7)16-5-10(12,13)14/h1-4,17H,5,15H2/b8-4-
InChIKeyXKCPALDEYVJNPC-YWEYNIOJSA-N
MW283.70 g/mol
LogP3.47
Rot. Bonds3

About (Z)-2-amino-2-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethenethiol

(Z)-2-amino-2-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethenethiol (PubChem CID 89304668) has the molecular formula C10H9ClF3NOS and a molecular weight of 283.70 g/mol. Its IUPAC name is (Z)-2-amino-2-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethenethiol.

Molecular Properties

Compound Name(Z)-2-amino-2-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethenethiol
PubChem CID89304668
Molecular FormulaC10H9ClF3NOS
Molecular Weight283.70 g/mol
Exact Mass283.00
IUPAC Name(Z)-2-amino-2-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethenethiol
SMILESN/C(=C\S)c1ccc(OCC(F)(F)F)c(Cl)c1
InChIInChI=1S/C10H9ClF3NOS/c11-7-3-6(8(15)4-17)1-2-9(7)16-5-10(12,13)14/h1-4,17H,5,15H2/b8-4-
InChIKeyXKCPALDEYVJNPC-YWEYNIOJSA-N
XLogP3.47
TPSA35.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.70
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-amino-2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethenethiol
CID 88904477
4-methoxy-3-(2,2,2-trifluoroethoxy)benzoic acid
CID 22707049
3-chloro-4-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexoxy)benzoic acid
CID 54355557
methyl 4-chloro-3-(2,2,2-trifluoroethoxy)benzoate
CID 90111403
methyl 2-(4-carbamothioyl-2-chlorophenoxy)acetate
CID 61389131
2-(4-carbamothioyl-2-chlorophenoxy)-N-carbamoylacetamide
CID 61388966
3-(cyclopropylmethoxy)-4-(2,2,2-trifluoroethoxy)benzamide
CID 68981863
N'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 24695782
4-[(4-carbamoylphenyl)methoxy]-3-chlorobenzoic acid
CID 60711874
[2-chloro-4-(trifluoromethyl)phenyl] carbamate
CID 68755563
2-chloro-6-(2,2,2-trifluoroethoxy)benzenecarbothioamide
CID 62496555
5-amino-2-(2,2,2-trifluoroethoxy)benzamide
CID 61312859

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-2-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethenethiol?
The IUPAC name of (Z)-2-amino-2-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethenethiol (CID 89304668) is (Z)-2-amino-2-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethenethiol.
What is the SMILES notation for (Z)-2-amino-2-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethenethiol?
The canonical SMILES for (Z)-2-amino-2-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethenethiol is N/C(=C\S)c1ccc(OCC(F)(F)F)c(Cl)c1.
What is the InChIKey of (Z)-2-amino-2-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethenethiol?
The InChIKey is XKCPALDEYVJNPC-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H9ClF3NOS/c11-7-3-6(8(15)4-17)1-2-9(7)16-5-10(12,13)14/h1-4,17H,5,15H2/b8-4-.
What are the key properties of (Z)-2-amino-2-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethenethiol?
(Z)-2-amino-2-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethenethiol has a molecular weight of 283.70 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-2-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethenethiol is sourced from PubChem (CID 89304668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).