1-methyl-3-[1,1,2,2-tetrafluoro-2-[4-(1,1,2,2-tetrafluoropropyl)phenyl]ethyl]benzene

C18H14F8 — CID 158300208

IUPAC1-methyl-3-[1,1,2,2-tetrafluoro-2-[4-(1,1,2,2-tetrafluoropropyl)phenyl]ethyl]benzene
SMILESCc1cccc(C(F)(F)C(F)(F)c2ccc(C(F)(F)C(C)(F)F)cc2)c1
InChIInChI=1S/C18H14F8/c1-11-4-3-5-14(10-11)18(25,26)17(23,24)13-8-6-12(7-9-13)16(21,22)15(2,19)20/h3-10H,1-2H3
InChIKeyGMKGKNAJAKZSSK-UHFFFAOYSA-N
MW382.29 g/mol
LogP6.63
Rot. Bonds5

About 1-methyl-3-[1,1,2,2-tetrafluoro-2-[4-(1,1,2,2-tetrafluoropropyl)phenyl]ethyl]benzene

1-methyl-3-[1,1,2,2-tetrafluoro-2-[4-(1,1,2,2-tetrafluoropropyl)phenyl]ethyl]benzene (PubChem CID 158300208) has the molecular formula C18H14F8 and a molecular weight of 382.29 g/mol. Its IUPAC name is 1-methyl-3-[1,1,2,2-tetrafluoro-2-[4-(1,1,2,2-tetrafluoropropyl)phenyl]ethyl]benzene.

Molecular Properties

Compound Name1-methyl-3-[1,1,2,2-tetrafluoro-2-[4-(1,1,2,2-tetrafluoropropyl)phenyl]ethyl]benzene
PubChem CID158300208
Molecular FormulaC18H14F8
Molecular Weight382.29 g/mol
Exact Mass382.10
IUPAC Name1-methyl-3-[1,1,2,2-tetrafluoro-2-[4-(1,1,2,2-tetrafluoropropyl)phenyl]ethyl]benzene
SMILESCc1cccc(C(F)(F)C(F)(F)c2ccc(C(F)(F)C(C)(F)F)cc2)c1
InChIInChI=1S/C18H14F8/c1-11-4-3-5-14(10-11)18(25,26)17(23,24)13-8-6-12(7-9-13)16(21,22)15(2,19)20/h3-10H,1-2H3
InChIKeyGMKGKNAJAKZSSK-UHFFFAOYSA-N
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.29
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[1,1,2,2,3,3-hexafluoro-3-(3-methylphenyl)propyl]-3-methylbenzene
CID 163492269
1,1-difluoro-2-methyl-1-(3-methylphenyl)propan-2-amine
CID 105452057
1,2,4,5-tetrafluoro-3-methyl-6-[1,1,2,2-tetrafluoro-2-(3-methylphenyl)ethyl]benzene
CID 101027772
1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene
CID 143856845
1-(2-fluorobut-3-en-2-yl)-3-methylbenzene
CID 138579646
1-(3-methylphenyl)ethane-1,1-diamine
CID 70165024
2-methyl-2-(3-methylphenyl)propan-1-amine
CID 47002400
4-[1,1,1,3,3,3-hexafluoro-2-(3-methylphenyl)propan-2-yl]-1,2-dimethylbenzene
CID 58193383
1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 129029518
3-fluoro-N-methyl-3-(3-methylphenyl)butan-1-amine
CID 105449357
1-[3,5-diethyl-4,4-difluoro-5-(3-methylphenyl)heptan-3-yl]-3-methylbenzene
CID 137435813
2,3,3,3-tetrafluoro-2-(3-methylphenyl)propan-1-amine
CID 84735272

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1,1,2,2-tetrafluoro-2-[4-(1,1,2,2-tetrafluoropropyl)phenyl]ethyl]benzene?
The IUPAC name of 1-methyl-3-[1,1,2,2-tetrafluoro-2-[4-(1,1,2,2-tetrafluoropropyl)phenyl]ethyl]benzene (CID 158300208) is 1-methyl-3-[1,1,2,2-tetrafluoro-2-[4-(1,1,2,2-tetrafluoropropyl)phenyl]ethyl]benzene.
What is the SMILES notation for 1-methyl-3-[1,1,2,2-tetrafluoro-2-[4-(1,1,2,2-tetrafluoropropyl)phenyl]ethyl]benzene?
The canonical SMILES for 1-methyl-3-[1,1,2,2-tetrafluoro-2-[4-(1,1,2,2-tetrafluoropropyl)phenyl]ethyl]benzene is Cc1cccc(C(F)(F)C(F)(F)c2ccc(C(F)(F)C(C)(F)F)cc2)c1.
What is the InChIKey of 1-methyl-3-[1,1,2,2-tetrafluoro-2-[4-(1,1,2,2-tetrafluoropropyl)phenyl]ethyl]benzene?
The InChIKey is GMKGKNAJAKZSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F8/c1-11-4-3-5-14(10-11)18(25,26)17(23,24)13-8-6-12(7-9-13)16(21,22)15(2,19)20/h3-10H,1-2H3.
What are the key properties of 1-methyl-3-[1,1,2,2-tetrafluoro-2-[4-(1,1,2,2-tetrafluoropropyl)phenyl]ethyl]benzene?
1-methyl-3-[1,1,2,2-tetrafluoro-2-[4-(1,1,2,2-tetrafluoropropyl)phenyl]ethyl]benzene has a molecular weight of 382.29 g/mol, XLogP of 6.63, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1,1,2,2-tetrafluoro-2-[4-(1,1,2,2-tetrafluoropropyl)phenyl]ethyl]benzene is sourced from PubChem (CID 158300208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).