1,1,2,3,4,5,6,6,6a-nonafluoro-1a-(trifluoromethyl)cyclopropa[a]indene

C11F12 — CID 11078885

IUPAC1,1,2,3,4,5,6,6,6a-nonafluoro-1a-(trifluoromethyl)cyclopropa[a]indene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(F)C1(F)C(F)(F)C21C(F)(F)F
InChIInChI=1S/C11F12/c12-3-1-2(4(13)6(15)5(3)14)8(16,17)9(18)7(1,10(9,19)20)11(21,22)23
InChIKeyWXFGTZXQPAPYBZ-UHFFFAOYSA-N
MW360.10 g/mol
LogP4.51
Rot. Bonds

About 1,1,2,3,4,5,6,6,6a-nonafluoro-1a-(trifluoromethyl)cyclopropa[a]indene

1,1,2,3,4,5,6,6,6a-nonafluoro-1a-(trifluoromethyl)cyclopropa[a]indene (PubChem CID 11078885) has the molecular formula C11F12 and a molecular weight of 360.10 g/mol. Its IUPAC name is 1,1,2,3,4,5,6,6,6a-nonafluoro-1a-(trifluoromethyl)cyclopropa[a]indene.

Molecular Properties

Compound Name1,1,2,3,4,5,6,6,6a-nonafluoro-1a-(trifluoromethyl)cyclopropa[a]indene
PubChem CID11078885
Molecular FormulaC11F12
Molecular Weight360.10 g/mol
Exact Mass359.98
IUPAC Name1,1,2,3,4,5,6,6,6a-nonafluoro-1a-(trifluoromethyl)cyclopropa[a]indene
SMILESFc1c(F)c(F)c2c(c1F)C(F)(F)C1(F)C(F)(F)C21C(F)(F)F
InChIInChI=1S/C11F12/c12-3-1-2(4(13)6(15)5(3)14)8(16,17)9(18)7(1,10(9,19)20)11(21,22)23
InChIKeyWXFGTZXQPAPYBZ-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.10
LogP ≤ 54.51
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

2,3,4,5,7,7,8-heptafluoro-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 12566761
2,3,4,5,7,7-hexafluoro-8-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 13492595
2-bromo-1,1,2,3,3,4,4,5,6,7,8-undecafluoronaphthalene
CID 12521074
(1,1,2,2,3,3,5,6,7-nonafluoroinden-4-yl)phosphane
CID 134333725
1,1,2,2,3,3,4,4,5,6,7,8,9,10,11,12-hexadecafluorochrysene
CID 12588586
(7R,8R)-2,3,4,5,7,8-hexafluoro-7-(1,1,2,2,2-pentafluoroethyl)-8-(trifluoromethyl)bicyclo[4.2.0]octa-1(6),2,4-triene
CID 125496698
2,3,4,5,8,8-hexafluoro-7-[1,1,2,2-tetrafluoro-2-(2,3,4,5,6-pentafluorophenyl)ethyl]bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol
CID 626457
2,3,4,5,8,8-hexafluoro-7-[2,3,4,5-tetrafluoro-6-(1,1,2,2,2-pentafluoroethyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-trien-7-ol
CID 15312175
1,1,2,2,3,3,4,4,5,5-decafluoro-6,6-dimethylcyclohexane;ethane;1,2,3,4,5,6-hexafluorobenzene
CID 156740763
(3E)-1,1,2,2,4,5,6,7-octafluoro-3-(1,2,2,2-tetrafluoroethylidene)indene
CID 5378372
1,1,3,3,4,5,6,7-octafluoro-2-benzofuran
CID 14195971
1,1,2,2,3,3,4,4,4a,5,5,6,6,7,7,8,8,8a-octadecafluoronaphthalene;1,2,3,4,5,6,7,8-octafluoronaphthalene
CID 158548980

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,4,5,6,6,6a-nonafluoro-1a-(trifluoromethyl)cyclopropa[a]indene?
The IUPAC name of 1,1,2,3,4,5,6,6,6a-nonafluoro-1a-(trifluoromethyl)cyclopropa[a]indene (CID 11078885) is 1,1,2,3,4,5,6,6,6a-nonafluoro-1a-(trifluoromethyl)cyclopropa[a]indene.
What is the SMILES notation for 1,1,2,3,4,5,6,6,6a-nonafluoro-1a-(trifluoromethyl)cyclopropa[a]indene?
The canonical SMILES for 1,1,2,3,4,5,6,6,6a-nonafluoro-1a-(trifluoromethyl)cyclopropa[a]indene is Fc1c(F)c(F)c2c(c1F)C(F)(F)C1(F)C(F)(F)C21C(F)(F)F.
What is the InChIKey of 1,1,2,3,4,5,6,6,6a-nonafluoro-1a-(trifluoromethyl)cyclopropa[a]indene?
The InChIKey is WXFGTZXQPAPYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F12/c12-3-1-2(4(13)6(15)5(3)14)8(16,17)9(18)7(1,10(9,19)20)11(21,22)23.
What are the key properties of 1,1,2,3,4,5,6,6,6a-nonafluoro-1a-(trifluoromethyl)cyclopropa[a]indene?
1,1,2,3,4,5,6,6,6a-nonafluoro-1a-(trifluoromethyl)cyclopropa[a]indene has a molecular weight of 360.10 g/mol, XLogP of 4.51, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,4,5,6,6,6a-nonafluoro-1a-(trifluoromethyl)cyclopropa[a]indene is sourced from PubChem (CID 11078885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).