4-ethylsulfanyl-2,3,5,6-tetrafluoroaniline

C8H7F4NS — CID 134575464

IUPAC4-ethylsulfanyl-2,3,5,6-tetrafluoroaniline
SMILESCCSc1c(F)c(F)c(N)c(F)c1F
InChIInChI=1S/C8H7F4NS/c1-2-14-8-5(11)3(9)7(13)4(10)6(8)12/h2,13H2,1H3
InChIKeyFREXNXVYLJHXKG-UHFFFAOYSA-N
MW225.21 g/mol
LogP2.94
Rot. Bonds2

About 4-ethylsulfanyl-2,3,5,6-tetrafluoroaniline

4-ethylsulfanyl-2,3,5,6-tetrafluoroaniline (PubChem CID 134575464) has the molecular formula C8H7F4NS and a molecular weight of 225.21 g/mol. Its IUPAC name is 4-ethylsulfanyl-2,3,5,6-tetrafluoroaniline.

Molecular Properties

Compound Name4-ethylsulfanyl-2,3,5,6-tetrafluoroaniline
PubChem CID134575464
Molecular FormulaC8H7F4NS
Molecular Weight225.21 g/mol
Exact Mass225.02
IUPAC Name4-ethylsulfanyl-2,3,5,6-tetrafluoroaniline
SMILESCCSc1c(F)c(F)c(N)c(F)c1F
InChIInChI=1S/C8H7F4NS/c1-2-14-8-5(11)3(9)7(13)4(10)6(8)12/h2,13H2,1H3
InChIKeyFREXNXVYLJHXKG-UHFFFAOYSA-N
XLogP2.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-ethylsulfanyl-2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylsulfanylphenyl)benzene
CID 155020098
4-(4-ethylsulfanyl-2,3,5,6-tetrafluorophenyl)-2,3,5,6-tetrafluorobenzenethiol
CID 166653974
5-ethyl-4,6-bis(ethylsulfanyl)-2-methylbenzene-1,3-diamine
CID 18676367
4-(3,4-diamino-2,5,6-trifluorophenyl)sulfanyl-3,5,6-trifluorobenzene-1,2-diamine
CID 71391291
azane;2,3,4,5,6-pentafluoroaniline
CID 172821602
4-ethylsulfonyl-2,3,5,6-tetrafluoroaniline
CID 134575379
2-(4-ethylsulfanyl-3,5-difluorophenyl)ethanamine
CID 63835465
(4-butylsulfanyl-2,3,5,6-tetrafluorophenyl)methanamine
CID 19433014
3-ethyl-2-ethylsulfanyl-6-methylaniline
CID 167071265
2-ethylsulfanyl-4,5-difluoroaniline
CID 130536650
(3-ethylsulfanyl-2,4-difluorophenyl)boronic acid
CID 171366656
4-ethylsulfanyl-3-methyl-1,2-oxazol-5-amine
CID 12603867

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-2,3,5,6-tetrafluoroaniline?
The IUPAC name of 4-ethylsulfanyl-2,3,5,6-tetrafluoroaniline (CID 134575464) is 4-ethylsulfanyl-2,3,5,6-tetrafluoroaniline.
What is the SMILES notation for 4-ethylsulfanyl-2,3,5,6-tetrafluoroaniline?
The canonical SMILES for 4-ethylsulfanyl-2,3,5,6-tetrafluoroaniline is CCSc1c(F)c(F)c(N)c(F)c1F.
What is the InChIKey of 4-ethylsulfanyl-2,3,5,6-tetrafluoroaniline?
The InChIKey is FREXNXVYLJHXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F4NS/c1-2-14-8-5(11)3(9)7(13)4(10)6(8)12/h2,13H2,1H3.
What are the key properties of 4-ethylsulfanyl-2,3,5,6-tetrafluoroaniline?
4-ethylsulfanyl-2,3,5,6-tetrafluoroaniline has a molecular weight of 225.21 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-2,3,5,6-tetrafluoroaniline is sourced from PubChem (CID 134575464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).