(2,3-difluorophenyl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4-trifluorophenyl)gallane

C25H5F14Ga — CID 141052254

IUPAC(2,3-difluorophenyl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4-trifluorophenyl)gallane
SMILESFc1cccc([Ga](c2ccc(F)c(F)c2F)c2c(F)c(F)c(F)c3c2C(F)(F)c2c(F)c(F)c(F)c(F)c2-3)c1F
InChIInChI=1S/C13F9.C6H2F3.C6H3F2.Ga/c14-3-1-2-4(8(16)7(3)15)5-6(13(2,21)22)10(18)12(20)11(19)9(5)17;7-4-2-1-3-5(8)6(4)9;7-5-3-1-2-4-6(5)8;/h;1-2H;1-3H;
InChIKeyURZGPZPJPSNBGE-UHFFFAOYSA-N
MW641.01 g/mol
LogP5.99
Rot. Bonds3

About (2,3-difluorophenyl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4-trifluorophenyl)gallane

(2,3-difluorophenyl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4-trifluorophenyl)gallane (PubChem CID 141052254) has the molecular formula C25H5F14Ga and a molecular weight of 641.01 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4-trifluorophenyl)gallane.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4-trifluorophenyl)gallane
PubChem CID141052254
Molecular FormulaC25H5F14Ga
Molecular Weight641.01 g/mol
Exact Mass639.94
IUPAC Name(2,3-difluorophenyl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4-trifluorophenyl)gallane
SMILESFc1cccc([Ga](c2ccc(F)c(F)c2F)c2c(F)c(F)c(F)c3c2C(F)(F)c2c(F)c(F)c(F)c(F)c2-3)c1F
InChIInChI=1S/C13F9.C6H2F3.C6H3F2.Ga/c14-3-1-2-4(8(16)7(3)15)5-6(13(2,21)22)10(18)12(20)11(19)9(5)17;7-4-2-1-3-5(8)6(4)9;7-5-3-1-2-4-6(5)8;/h;1-2H;1-3H;
InChIKeyURZGPZPJPSNBGE-UHFFFAOYSA-N
XLogP5.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.01
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-trifluorobenzene
CID 15147
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CID 141042425
1-(2,3-difluorophenyl)-1,2,3,4,5,6,7-heptafluoroindene
CID 173206122
(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)boronic acid
CID 141039667
1,2,3,4,5-pentafluoro-6-[2-iodo-3-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
CID 144908528
(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(4,5,6,7-tetrafluoronaphthalen-1-yl)oxy-(4,5,6-trifluoronaphthalen-1-yl)oxyborane
CID 141042448
1-(2,6-difluorophenyl)-2,3-difluorobenzene
CID 91080743
1,2,8-trifluorophenanthrene
CID 123788571
1,2,3,4,5-pentafluoro-6-[2-fluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]benzene
CID 175418212
1-(2,3-difluorophenyl)-2,3,4,5,6-pentafluoronaphthalene
CID 91341325
2-(2,6-difluorophenyl)-1,3-difluorobenzene
CID 13068684
(2,3,4,5,6,7,8,9,10-nonafluoroanthracen-1-yl) (2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl) (4,5,6-trifluoronaphthalen-1-yl) borate
CID 172700054

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4-trifluorophenyl)gallane?
The IUPAC name of (2,3-difluorophenyl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4-trifluorophenyl)gallane (CID 141052254) is (2,3-difluorophenyl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4-trifluorophenyl)gallane.
What is the SMILES notation for (2,3-difluorophenyl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4-trifluorophenyl)gallane?
The canonical SMILES for (2,3-difluorophenyl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4-trifluorophenyl)gallane is Fc1cccc([Ga](c2ccc(F)c(F)c2F)c2c(F)c(F)c(F)c3c2C(F)(F)c2c(F)c(F)c(F)c(F)c2-3)c1F.
What is the InChIKey of (2,3-difluorophenyl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4-trifluorophenyl)gallane?
The InChIKey is URZGPZPJPSNBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13F9.C6H2F3.C6H3F2.Ga/c14-3-1-2-4(8(16)7(3)15)5-6(13(2,21)22)10(18)12(20)11(19)9(5)17;7-4-2-1-3-5(8)6(4)9;7-5-3-1-2-4-6(5)8;/h;1-2H;1-3H;.
What are the key properties of (2,3-difluorophenyl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4-trifluorophenyl)gallane?
(2,3-difluorophenyl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4-trifluorophenyl)gallane has a molecular weight of 641.01 g/mol, XLogP of 5.99, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(2,3,4,5,6,7,8,9,9-nonafluorofluoren-1-yl)-(2,3,4-trifluorophenyl)gallane is sourced from PubChem (CID 141052254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).