1-[(Z)-6-fluoro-2,4-dimethylhept-5-en-2-yl]-4-(2-fluoropropan-2-yl)benzene

C18H26F2 — CID 177061034

IUPAC1-[(Z)-6-fluoro-2,4-dimethylhept-5-en-2-yl]-4-(2-fluoropropan-2-yl)benzene
SMILESC/C(F)=C/C(C)CC(C)(C)c1ccc(C(C)(C)F)cc1
InChIInChI=1S/C18H26F2/c1-13(11-14(2)19)12-17(3,4)15-7-9-16(10-8-15)18(5,6)20/h7-11,13H,12H2,1-6H3/b14-11-
InChIKeyIOMDNZXBTMJAHR-KAMYIIQDSA-N
MW280.40 g/mol
LogP6.07
Rot. Bonds5

About 1-[(Z)-6-fluoro-2,4-dimethylhept-5-en-2-yl]-4-(2-fluoropropan-2-yl)benzene

1-[(Z)-6-fluoro-2,4-dimethylhept-5-en-2-yl]-4-(2-fluoropropan-2-yl)benzene (PubChem CID 177061034) has the molecular formula C18H26F2 and a molecular weight of 280.40 g/mol. Its IUPAC name is 1-[(Z)-6-fluoro-2,4-dimethylhept-5-en-2-yl]-4-(2-fluoropropan-2-yl)benzene.

Molecular Properties

Compound Name1-[(Z)-6-fluoro-2,4-dimethylhept-5-en-2-yl]-4-(2-fluoropropan-2-yl)benzene
PubChem CID177061034
Molecular FormulaC18H26F2
Molecular Weight280.40 g/mol
Exact Mass280.20
IUPAC Name1-[(Z)-6-fluoro-2,4-dimethylhept-5-en-2-yl]-4-(2-fluoropropan-2-yl)benzene
SMILESC/C(F)=C/C(C)CC(C)(C)c1ccc(C(C)(C)F)cc1
InChIInChI=1S/C18H26F2/c1-13(11-14(2)19)12-17(3,4)15-7-9-16(10-8-15)18(5,6)20/h7-11,13H,12H2,1-6H3/b14-11-
InChIKeyIOMDNZXBTMJAHR-KAMYIIQDSA-N
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.40
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-6-fluoro-2,4-dimethylhept-5-en-2-yl]-4-(2-fluoropropan-2-yl)benzene?
The IUPAC name of 1-[(Z)-6-fluoro-2,4-dimethylhept-5-en-2-yl]-4-(2-fluoropropan-2-yl)benzene (CID 177061034) is 1-[(Z)-6-fluoro-2,4-dimethylhept-5-en-2-yl]-4-(2-fluoropropan-2-yl)benzene.
What is the SMILES notation for 1-[(Z)-6-fluoro-2,4-dimethylhept-5-en-2-yl]-4-(2-fluoropropan-2-yl)benzene?
The canonical SMILES for 1-[(Z)-6-fluoro-2,4-dimethylhept-5-en-2-yl]-4-(2-fluoropropan-2-yl)benzene is C/C(F)=C/C(C)CC(C)(C)c1ccc(C(C)(C)F)cc1.
What is the InChIKey of 1-[(Z)-6-fluoro-2,4-dimethylhept-5-en-2-yl]-4-(2-fluoropropan-2-yl)benzene?
The InChIKey is IOMDNZXBTMJAHR-KAMYIIQDSA-N. The full InChI is InChI=1S/C18H26F2/c1-13(11-14(2)19)12-17(3,4)15-7-9-16(10-8-15)18(5,6)20/h7-11,13H,12H2,1-6H3/b14-11-.
What are the key properties of 1-[(Z)-6-fluoro-2,4-dimethylhept-5-en-2-yl]-4-(2-fluoropropan-2-yl)benzene?
1-[(Z)-6-fluoro-2,4-dimethylhept-5-en-2-yl]-4-(2-fluoropropan-2-yl)benzene has a molecular weight of 280.40 g/mol, XLogP of 6.07, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-6-fluoro-2,4-dimethylhept-5-en-2-yl]-4-(2-fluoropropan-2-yl)benzene is sourced from PubChem (CID 177061034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).