[(Z)-1-[4-(1-aminoethenyl)naphthalen-1-yl]-3-[3-chloro-5-(trifluoromethyl)phenyl]-4,4,4-trifluorobut-2-enylidene]tungsten

C23H14ClF6NW — CID 167454644

IUPAC[(Z)-1-[4-(1-aminoethenyl)naphthalen-1-yl]-3-[3-chloro-5-(trifluoromethyl)phenyl]-4,4,4-trifluorobut-2-enylidene]tungsten
SMILESC=C(N)c1ccc(C(=[W])/C=C(/c2cc(Cl)cc(C(F)(F)F)c2)C(F)(F)F)c2ccccc12
InChIInChI=1S/C23H14ClF6N.W/c1-13(31)18-8-6-14(19-4-2-3-5-20(18)19)7-9-21(23(28,29)30)15-10-16(22(25,26)27)12-17(24)11-15;/h2-6,8-12H,1,31H2;/b21-9-;
InChIKeyFJEWJGJZOQYMHN-CIZUXHMISA-N
MW637.65 g/mol
LogP7.15
Rot. Bonds4

About [(Z)-1-[4-(1-aminoethenyl)naphthalen-1-yl]-3-[3-chloro-5-(trifluoromethyl)phenyl]-4,4,4-trifluorobut-2-enylidene]tungsten

[(Z)-1-[4-(1-aminoethenyl)naphthalen-1-yl]-3-[3-chloro-5-(trifluoromethyl)phenyl]-4,4,4-trifluorobut-2-enylidene]tungsten (PubChem CID 167454644) has the molecular formula C23H14ClF6NW and a molecular weight of 637.65 g/mol. Its IUPAC name is [(Z)-1-[4-(1-aminoethenyl)naphthalen-1-yl]-3-[3-chloro-5-(trifluoromethyl)phenyl]-4,4,4-trifluorobut-2-enylidene]tungsten.

Molecular Properties

Compound Name[(Z)-1-[4-(1-aminoethenyl)naphthalen-1-yl]-3-[3-chloro-5-(trifluoromethyl)phenyl]-4,4,4-trifluorobut-2-enylidene]tungsten
PubChem CID167454644
Molecular FormulaC23H14ClF6NW
Molecular Weight637.65 g/mol
Exact Mass637.02
IUPAC Name[(Z)-1-[4-(1-aminoethenyl)naphthalen-1-yl]-3-[3-chloro-5-(trifluoromethyl)phenyl]-4,4,4-trifluorobut-2-enylidene]tungsten
SMILESC=C(N)c1ccc(C(=[W])/C=C(/c2cc(Cl)cc(C(F)(F)F)c2)C(F)(F)F)c2ccccc12
InChIInChI=1S/C23H14ClF6N.W/c1-13(31)18-8-6-14(19-4-2-3-5-20(18)19)7-9-21(23(28,29)30)15-10-16(22(25,26)27)12-17(24)11-15;/h2-6,8-12H,1,31H2;/b21-9-;
InChIKeyFJEWJGJZOQYMHN-CIZUXHMISA-N
XLogP7.15
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.65
LogP ≤ 57.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(Z)-1-[4-(1-aminoethenyl)naphthalen-1-yl]-3-[3-chloro-5-(trifluoromethyl)phenyl]-4,4,4-trifluorobut-2-enylidene]tungsten?
The IUPAC name of [(Z)-1-[4-(1-aminoethenyl)naphthalen-1-yl]-3-[3-chloro-5-(trifluoromethyl)phenyl]-4,4,4-trifluorobut-2-enylidene]tungsten (CID 167454644) is [(Z)-1-[4-(1-aminoethenyl)naphthalen-1-yl]-3-[3-chloro-5-(trifluoromethyl)phenyl]-4,4,4-trifluorobut-2-enylidene]tungsten.
What is the SMILES notation for [(Z)-1-[4-(1-aminoethenyl)naphthalen-1-yl]-3-[3-chloro-5-(trifluoromethyl)phenyl]-4,4,4-trifluorobut-2-enylidene]tungsten?
The canonical SMILES for [(Z)-1-[4-(1-aminoethenyl)naphthalen-1-yl]-3-[3-chloro-5-(trifluoromethyl)phenyl]-4,4,4-trifluorobut-2-enylidene]tungsten is C=C(N)c1ccc(C(=[W])/C=C(/c2cc(Cl)cc(C(F)(F)F)c2)C(F)(F)F)c2ccccc12.
What is the InChIKey of [(Z)-1-[4-(1-aminoethenyl)naphthalen-1-yl]-3-[3-chloro-5-(trifluoromethyl)phenyl]-4,4,4-trifluorobut-2-enylidene]tungsten?
The InChIKey is FJEWJGJZOQYMHN-CIZUXHMISA-N. The full InChI is InChI=1S/C23H14ClF6N.W/c1-13(31)18-8-6-14(19-4-2-3-5-20(18)19)7-9-21(23(28,29)30)15-10-16(22(25,26)27)12-17(24)11-15;/h2-6,8-12H,1,31H2;/b21-9-;.
What are the key properties of [(Z)-1-[4-(1-aminoethenyl)naphthalen-1-yl]-3-[3-chloro-5-(trifluoromethyl)phenyl]-4,4,4-trifluorobut-2-enylidene]tungsten?
[(Z)-1-[4-(1-aminoethenyl)naphthalen-1-yl]-3-[3-chloro-5-(trifluoromethyl)phenyl]-4,4,4-trifluorobut-2-enylidene]tungsten has a molecular weight of 637.65 g/mol, XLogP of 7.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-[4-(1-aminoethenyl)naphthalen-1-yl]-3-[3-chloro-5-(trifluoromethyl)phenyl]-4,4,4-trifluorobut-2-enylidene]tungsten is sourced from PubChem (CID 167454644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).