2,3-difluoro-1-(3-methylpentan-3-yl)-4-pent-2-en-3-ylbenzene

C17H24F2 — CID 142335580

IUPAC2,3-difluoro-1-(3-methylpentan-3-yl)-4-pent-2-en-3-ylbenzene
SMILESCC=C(CC)c1ccc(C(C)(CC)CC)c(F)c1F
InChIInChI=1S/C17H24F2/c1-6-12(7-2)13-10-11-14(16(19)15(13)18)17(5,8-3)9-4/h6,10-11H,7-9H2,1-5H3
InChIKeyNSMKTEMPEALTPX-UHFFFAOYSA-N
MW266.38 g/mol
LogP5.86
Rot. Bonds5

About 2,3-difluoro-1-(3-methylpentan-3-yl)-4-pent-2-en-3-ylbenzene

2,3-difluoro-1-(3-methylpentan-3-yl)-4-pent-2-en-3-ylbenzene (PubChem CID 142335580) has the molecular formula C17H24F2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2,3-difluoro-1-(3-methylpentan-3-yl)-4-pent-2-en-3-ylbenzene.

Molecular Properties

Compound Name2,3-difluoro-1-(3-methylpentan-3-yl)-4-pent-2-en-3-ylbenzene
PubChem CID142335580
Molecular FormulaC17H24F2
Molecular Weight266.38 g/mol
Exact Mass266.18
IUPAC Name2,3-difluoro-1-(3-methylpentan-3-yl)-4-pent-2-en-3-ylbenzene
SMILESCC=C(CC)c1ccc(C(C)(CC)CC)c(F)c1F
InChIInChI=1S/C17H24F2/c1-6-12(7-2)13-10-11-14(16(19)15(13)18)17(5,8-3)9-4/h6,10-11H,7-9H2,1-5H3
InChIKeyNSMKTEMPEALTPX-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.38
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2,3-difluoro-1-(2-methylbutan-2-yl)-4-(3-methylpentan-3-yl)benzene
CID 126703972
8-fluoro-7-(3-methylpentan-3-yl)-2-oxo-1H-quinoline-3-carboxylic acid
CID 176988643
1,3-difluoro-2,4-bis(3-methylpentan-3-yl)benzene;2-(1,3-difluoro-2-methylpropan-2-yl)-1-fluoro-3-methyl-4-(3-methylpentan-3-yl)benzene
CID 157090169
(Z)-3-(2,3-difluorophenyl)pent-2-enoic acid
CID 67458775
(Z)-3-(2-fluorophenyl)pent-2-enal
CID 115015110
3-methyl-2-(2,3,4-trifluorophenyl)pentan-2-ol
CID 62964258
(Z)-2-ethyl-1-(2,3,4-trifluorophenyl)but-2-en-1-one
CID 103447577
2-(2,3-difluorophenyl)butan-2-amine
CID 63988805
1-tert-butyl-2-fluoro-4-(3-methylpentan-3-yl)benzene
CID 126704074
4-methyl-3-[(Z)-pent-2-en-3-yl]phenol
CID 142882435
2-(3-bromo-2-fluorophenyl)-2-methylbutan-1-amine
CID 117047799
4-(3-ethylpentan-3-ylamino)-2,3-difluorobenzenecarbothioamide
CID 107935049

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-1-(3-methylpentan-3-yl)-4-pent-2-en-3-ylbenzene?
The IUPAC name of 2,3-difluoro-1-(3-methylpentan-3-yl)-4-pent-2-en-3-ylbenzene (CID 142335580) is 2,3-difluoro-1-(3-methylpentan-3-yl)-4-pent-2-en-3-ylbenzene.
What is the SMILES notation for 2,3-difluoro-1-(3-methylpentan-3-yl)-4-pent-2-en-3-ylbenzene?
The canonical SMILES for 2,3-difluoro-1-(3-methylpentan-3-yl)-4-pent-2-en-3-ylbenzene is CC=C(CC)c1ccc(C(C)(CC)CC)c(F)c1F.
What is the InChIKey of 2,3-difluoro-1-(3-methylpentan-3-yl)-4-pent-2-en-3-ylbenzene?
The InChIKey is NSMKTEMPEALTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2/c1-6-12(7-2)13-10-11-14(16(19)15(13)18)17(5,8-3)9-4/h6,10-11H,7-9H2,1-5H3.
What are the key properties of 2,3-difluoro-1-(3-methylpentan-3-yl)-4-pent-2-en-3-ylbenzene?
2,3-difluoro-1-(3-methylpentan-3-yl)-4-pent-2-en-3-ylbenzene has a molecular weight of 266.38 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-1-(3-methylpentan-3-yl)-4-pent-2-en-3-ylbenzene is sourced from PubChem (CID 142335580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).