1-(2-methylpropyl)-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene

C16H19F7O — CID 156765327

IUPAC1-(2-methylpropyl)-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene
SMILESCOC(CC(F)(C(F)(F)F)C(F)(F)F)c1ccccc1CC(C)C
InChIInChI=1S/C16H19F7O/c1-10(2)8-11-6-4-5-7-12(11)13(24-3)9-14(17,15(18,19)20)16(21,22)23/h4-7,10,13H,8-9H2,1-3H3
InChIKeyHMCPQBUPOAVHIQ-UHFFFAOYSA-N
MW360.31 g/mol
LogP5.80
Rot. Bonds6

About 1-(2-methylpropyl)-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene

1-(2-methylpropyl)-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene (PubChem CID 156765327) has the molecular formula C16H19F7O and a molecular weight of 360.31 g/mol. Its IUPAC name is 1-(2-methylpropyl)-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene.

Molecular Properties

Compound Name1-(2-methylpropyl)-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene
PubChem CID156765327
Molecular FormulaC16H19F7O
Molecular Weight360.31 g/mol
Exact Mass360.13
IUPAC Name1-(2-methylpropyl)-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene
SMILESCOC(CC(F)(C(F)(F)F)C(F)(F)F)c1ccccc1CC(C)C
InChIInChI=1S/C16H19F7O/c1-10(2)8-11-6-4-5-7-12(11)13(24-3)9-14(17,15(18,19)20)16(21,22)23/h4-7,10,13H,8-9H2,1-3H3
InChIKeyHMCPQBUPOAVHIQ-UHFFFAOYSA-N
XLogP5.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.31
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-bromo-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene
CID 156764357
1-ethoxy-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene
CID 156765471
1-[2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]phenyl]ethanone
CID 156764400
1-[2-(1,2-dimethoxyethyl)phenyl]propan-2-amine
CID 117320593
1-[2-(1-methoxyethyl)phenyl]propan-2-amine
CID 117111257
1-(3,3,4,4,5,5,5-heptafluoro-1-methoxypentyl)-2-iodobenzene
CID 156763741
1-ethoxy-2-(3,3,4,4,4-pentafluoro-1-methoxybutyl)benzene
CID 156764387
3,4,4,4-tetrafluoro-1-(2-methoxyphenyl)-3-(trifluoromethyl)butan-1-ol
CID 156764449
1,2-bis(2-methylpropyl)benzene;hydrate
CID 172819121
1-(3,3,4,4,5,5,6,6,6-nonafluoro-1-methoxyhexyl)-2-propan-2-yloxybenzene
CID 156763329
1-butan-2-yl-2-(3,3,4,4,5,5,6,6,7,7,7-undecafluoro-1-methoxyheptyl)benzene
CID 156763827
1-methyl-2-(3,3,4,4,5,5,6,6,7,7,7-undecafluoro-1-methoxyheptyl)benzene
CID 156763110

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene?
The IUPAC name of 1-(2-methylpropyl)-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene (CID 156765327) is 1-(2-methylpropyl)-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene.
What is the SMILES notation for 1-(2-methylpropyl)-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene?
The canonical SMILES for 1-(2-methylpropyl)-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene is COC(CC(F)(C(F)(F)F)C(F)(F)F)c1ccccc1CC(C)C.
What is the InChIKey of 1-(2-methylpropyl)-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene?
The InChIKey is HMCPQBUPOAVHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F7O/c1-10(2)8-11-6-4-5-7-12(11)13(24-3)9-14(17,15(18,19)20)16(21,22)23/h4-7,10,13H,8-9H2,1-3H3.
What are the key properties of 1-(2-methylpropyl)-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene?
1-(2-methylpropyl)-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene has a molecular weight of 360.31 g/mol, XLogP of 5.80, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-2-[3,4,4,4-tetrafluoro-1-methoxy-3-(trifluoromethyl)butyl]benzene is sourced from PubChem (CID 156765327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).