1-ethyl-3-(2-fluoropropan-2-yl)-2-(5-methylhex-5-enyl)benzene

C18H27F — CID 177342818

IUPAC1-ethyl-3-(2-fluoropropan-2-yl)-2-(5-methylhex-5-enyl)benzene
SMILESC=C(C)CCCCc1c(CC)cccc1C(C)(C)F
InChIInChI=1S/C18H27F/c1-6-15-11-9-13-17(18(4,5)19)16(15)12-8-7-10-14(2)3/h9,11,13H,2,6-8,10,12H2,1,3-5H3
InChIKeyRVHLPEYLFOIZSS-UHFFFAOYSA-N
MW262.41 g/mol
LogP5.74
Rot. Bonds7

About 1-ethyl-3-(2-fluoropropan-2-yl)-2-(5-methylhex-5-enyl)benzene

1-ethyl-3-(2-fluoropropan-2-yl)-2-(5-methylhex-5-enyl)benzene (PubChem CID 177342818) has the molecular formula C18H27F and a molecular weight of 262.41 g/mol. Its IUPAC name is 1-ethyl-3-(2-fluoropropan-2-yl)-2-(5-methylhex-5-enyl)benzene.

Molecular Properties

Compound Name1-ethyl-3-(2-fluoropropan-2-yl)-2-(5-methylhex-5-enyl)benzene
PubChem CID177342818
Molecular FormulaC18H27F
Molecular Weight262.41 g/mol
Exact Mass262.21
IUPAC Name1-ethyl-3-(2-fluoropropan-2-yl)-2-(5-methylhex-5-enyl)benzene
SMILESC=C(C)CCCCc1c(CC)cccc1C(C)(C)F
InChIInChI=1S/C18H27F/c1-6-15-11-9-13-17(18(4,5)19)16(15)12-8-7-10-14(2)3/h9,11,13H,2,6-8,10,12H2,1,3-5H3
InChIKeyRVHLPEYLFOIZSS-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.41
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(2-fluoropropan-2-yl)-2-(5-methylhex-5-enyl)benzene?
The IUPAC name of 1-ethyl-3-(2-fluoropropan-2-yl)-2-(5-methylhex-5-enyl)benzene (CID 177342818) is 1-ethyl-3-(2-fluoropropan-2-yl)-2-(5-methylhex-5-enyl)benzene.
What is the SMILES notation for 1-ethyl-3-(2-fluoropropan-2-yl)-2-(5-methylhex-5-enyl)benzene?
The canonical SMILES for 1-ethyl-3-(2-fluoropropan-2-yl)-2-(5-methylhex-5-enyl)benzene is C=C(C)CCCCc1c(CC)cccc1C(C)(C)F.
What is the InChIKey of 1-ethyl-3-(2-fluoropropan-2-yl)-2-(5-methylhex-5-enyl)benzene?
The InChIKey is RVHLPEYLFOIZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F/c1-6-15-11-9-13-17(18(4,5)19)16(15)12-8-7-10-14(2)3/h9,11,13H,2,6-8,10,12H2,1,3-5H3.
What are the key properties of 1-ethyl-3-(2-fluoropropan-2-yl)-2-(5-methylhex-5-enyl)benzene?
1-ethyl-3-(2-fluoropropan-2-yl)-2-(5-methylhex-5-enyl)benzene has a molecular weight of 262.41 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(2-fluoropropan-2-yl)-2-(5-methylhex-5-enyl)benzene is sourced from PubChem (CID 177342818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).