N-(2,3,4,5,6-pentafluorophenyl)-1-thiophen-2-ylmethanimine

C11H4F5NS — CID 2351568

IUPACN-(2,3,4,5,6-pentafluorophenyl)-1-thiophen-2-ylmethanimine
SMILESFc1c(F)c(F)c(/N=C/c2cccs2)c(F)c1F
InChIInChI=1S/C11H4F5NS/c12-6-7(13)9(15)11(10(16)8(6)14)17-4-5-2-1-3-18-5/h1-4H/b17-4+
InChIKeyLFRCGZOZYOMXIT-HAVNEIBRSA-N
MW277.22 g/mol
LogP4.19
Rot. Bonds2

About N-(2,3,4,5,6-pentafluorophenyl)-1-thiophen-2-ylmethanimine

N-(2,3,4,5,6-pentafluorophenyl)-1-thiophen-2-ylmethanimine (PubChem CID 2351568) has the molecular formula C11H4F5NS and a molecular weight of 277.22 g/mol. Its IUPAC name is N-(2,3,4,5,6-pentafluorophenyl)-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound NameN-(2,3,4,5,6-pentafluorophenyl)-1-thiophen-2-ylmethanimine
PubChem CID2351568
Molecular FormulaC11H4F5NS
Molecular Weight277.22 g/mol
Exact Mass277.00
IUPAC NameN-(2,3,4,5,6-pentafluorophenyl)-1-thiophen-2-ylmethanimine
SMILESFc1c(F)c(F)c(/N=C/c2cccs2)c(F)c1F
InChIInChI=1S/C11H4F5NS/c12-6-7(13)9(15)11(10(16)8(6)14)17-4-5-2-1-3-18-5/h1-4H/b17-4+
InChIKeyLFRCGZOZYOMXIT-HAVNEIBRSA-N
XLogP4.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.22
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[3-chloro-5-(thiophen-2-ylmethylideneamino)phenyl]-1-thiophen-2-ylmethanimine
CID 134122440
(NZ)-N-(thiophen-2-ylmethylidene)hydroxylamine
CID 5371572
2,3,5,6-tetrafluoro-N-[(Z)-thiophen-2-ylmethylideneamino]aniline
CID 6260448
2,4-diamino-5-(thiophen-2-ylmethylideneamino)-1H-pyrimidin-6-one
CID 135411176
6-[(E)-thiophen-2-ylmethylideneamino]pyridin-2-amine
CID 177449170
N-(3-methylphenyl)-1-thiophen-2-ylmethanimine
CID 13481551
N-(1-oxidopyridin-1-ium-2-yl)-1-thiophen-2-ylmethanimine
CID 71412112
4-(thiophen-2-ylmethylideneamino)benzenesulfonamide
CID 710286
N-phenyl-N-(thiophen-2-ylmethylideneamino)aniline
CID 70556050
N-(thiophen-2-ylmethylideneamino)formamide
CID 4188551
N-(4-piperidin-1-ylphenyl)-1-thiophen-2-ylmethanimine
CID 961227
phenyl-[4-(thiophen-2-ylmethylideneamino)phenyl]methanone
CID 10779931

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4,5,6-pentafluorophenyl)-1-thiophen-2-ylmethanimine?
The IUPAC name of N-(2,3,4,5,6-pentafluorophenyl)-1-thiophen-2-ylmethanimine (CID 2351568) is N-(2,3,4,5,6-pentafluorophenyl)-1-thiophen-2-ylmethanimine.
What is the SMILES notation for N-(2,3,4,5,6-pentafluorophenyl)-1-thiophen-2-ylmethanimine?
The canonical SMILES for N-(2,3,4,5,6-pentafluorophenyl)-1-thiophen-2-ylmethanimine is Fc1c(F)c(F)c(/N=C/c2cccs2)c(F)c1F.
What is the InChIKey of N-(2,3,4,5,6-pentafluorophenyl)-1-thiophen-2-ylmethanimine?
The InChIKey is LFRCGZOZYOMXIT-HAVNEIBRSA-N. The full InChI is InChI=1S/C11H4F5NS/c12-6-7(13)9(15)11(10(16)8(6)14)17-4-5-2-1-3-18-5/h1-4H/b17-4+.
What are the key properties of N-(2,3,4,5,6-pentafluorophenyl)-1-thiophen-2-ylmethanimine?
N-(2,3,4,5,6-pentafluorophenyl)-1-thiophen-2-ylmethanimine has a molecular weight of 277.22 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4,5,6-pentafluorophenyl)-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 2351568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).