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

C10H9F4NOS — CID 88904477

IUPAC(Z)-2-amino-2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethenethiol
SMILESN/C(=C\S)c1ccc(OCC(F)(F)F)c(F)c1
InChIInChI=1S/C10H9F4NOS/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-
InChIKeyYSEMOTVZCLEHEG-YWEYNIOJSA-N
MW267.25 g/mol
LogP2.95
Rot. Bonds3

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

(Z)-2-amino-2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethenethiol (PubChem CID 88904477) has the molecular formula C10H9F4NOS and a molecular weight of 267.25 g/mol. Its IUPAC name is (Z)-2-amino-2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethenethiol.

Molecular Properties

Compound Name(Z)-2-amino-2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethenethiol
PubChem CID88904477
Molecular FormulaC10H9F4NOS
Molecular Weight267.25 g/mol
Exact Mass267.03
IUPAC Name(Z)-2-amino-2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethenethiol
SMILESN/C(=C\S)c1ccc(OCC(F)(F)F)c(F)c1
InChIInChI=1S/C10H9F4NOS/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-
InChIKeyYSEMOTVZCLEHEG-YWEYNIOJSA-N
XLogP2.95
TPSA35.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.95
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-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethenethiol
CID 89304668
3-fluoro-4-(2,2,3,3-tetrafluoropropoxy)benzenecarbothioamide
CID 43658096
[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]boronic acid
CID 44717669
(E)-3-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]prop-2-enoic acid
CID 29058103
4-methoxy-3-(2,2,2-trifluoroethoxy)benzoic acid
CID 22707049
methyl 2-(4-carbamothioyl-2-fluorophenoxy)acetate
CID 107665927
3-fluoro-4-(2,2,2-trifluoroethoxy)benzonitrile
CID 14774191
3-(cyclopropylmethoxy)-4-(2,2,2-trifluoroethoxy)benzamide
CID 68981863
N'-hydroxy-3-methoxy-4-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 24695782
5-amino-2-(2,2,2-trifluoroethoxy)benzamide
CID 61312859
2-(4-carbamothioyl-2-fluorophenoxy)-N,N-diethylacetamide
CID 107665931
1-[2-[3-fluoro-4-(2,2,2-trifluoroethoxy)benzoyl]-2,9-diazaspiro[4.5]decan-9-yl]prop-2-en-1-one
CID 172887761

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethenethiol?
The IUPAC name of (Z)-2-amino-2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethenethiol (CID 88904477) is (Z)-2-amino-2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethenethiol.
What is the SMILES notation for (Z)-2-amino-2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethenethiol?
The canonical SMILES for (Z)-2-amino-2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethenethiol is N/C(=C\S)c1ccc(OCC(F)(F)F)c(F)c1.
What is the InChIKey of (Z)-2-amino-2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethenethiol?
The InChIKey is YSEMOTVZCLEHEG-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H9F4NOS/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-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethenethiol?
(Z)-2-amino-2-[3-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethenethiol has a molecular weight of 267.25 g/mol, XLogP of 2.95, 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-fluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethenethiol is sourced from PubChem (CID 88904477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).