(1E,3E)-3-fluoro-6-methyl-1,7-dipropylcyclonona-1,3-diene

C16H27F — CID 174306687

IUPAC(1E,3E)-3-fluoro-6-methyl-1,7-dipropylcyclonona-1,3-diene
SMILESCCC/C1=C\C(F)=C/CC(C)C(CCC)CC1
InChIInChI=1S/C16H27F/c1-4-6-14-9-10-15(7-5-2)13(3)8-11-16(17)12-14/h11-13,15H,4-10H2,1-3H3/b14-12+,16-11+
InChIKeyDFLBRSNVAKXFNO-LOAPMXLUSA-N
MW238.39 g/mol
LogP5.80
Rot. Bonds4

About (1E,3E)-3-fluoro-6-methyl-1,7-dipropylcyclonona-1,3-diene

(1E,3E)-3-fluoro-6-methyl-1,7-dipropylcyclonona-1,3-diene (PubChem CID 174306687) has the molecular formula C16H27F and a molecular weight of 238.39 g/mol. Its IUPAC name is (1E,3E)-3-fluoro-6-methyl-1,7-dipropylcyclonona-1,3-diene.

Molecular Properties

Compound Name(1E,3E)-3-fluoro-6-methyl-1,7-dipropylcyclonona-1,3-diene
PubChem CID174306687
Molecular FormulaC16H27F
Molecular Weight238.39 g/mol
Exact Mass238.21
IUPAC Name(1E,3E)-3-fluoro-6-methyl-1,7-dipropylcyclonona-1,3-diene
SMILESCCC/C1=C\C(F)=C/CC(C)C(CCC)CC1
InChIInChI=1S/C16H27F/c1-4-6-14-9-10-15(7-5-2)13(3)8-11-16(17)12-14/h11-13,15H,4-10H2,1-3H3/b14-12+,16-11+
InChIKeyDFLBRSNVAKXFNO-LOAPMXLUSA-N
XLogP5.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.39
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1E,3E)-3-fluoro-6-methyl-1,7-dipropylcyclonona-1,3-diene?
The IUPAC name of (1E,3E)-3-fluoro-6-methyl-1,7-dipropylcyclonona-1,3-diene (CID 174306687) is (1E,3E)-3-fluoro-6-methyl-1,7-dipropylcyclonona-1,3-diene.
What is the SMILES notation for (1E,3E)-3-fluoro-6-methyl-1,7-dipropylcyclonona-1,3-diene?
The canonical SMILES for (1E,3E)-3-fluoro-6-methyl-1,7-dipropylcyclonona-1,3-diene is CCC/C1=C\C(F)=C/CC(C)C(CCC)CC1.
What is the InChIKey of (1E,3E)-3-fluoro-6-methyl-1,7-dipropylcyclonona-1,3-diene?
The InChIKey is DFLBRSNVAKXFNO-LOAPMXLUSA-N. The full InChI is InChI=1S/C16H27F/c1-4-6-14-9-10-15(7-5-2)13(3)8-11-16(17)12-14/h11-13,15H,4-10H2,1-3H3/b14-12+,16-11+.
What are the key properties of (1E,3E)-3-fluoro-6-methyl-1,7-dipropylcyclonona-1,3-diene?
(1E,3E)-3-fluoro-6-methyl-1,7-dipropylcyclonona-1,3-diene has a molecular weight of 238.39 g/mol, XLogP of 5.80, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3E)-3-fluoro-6-methyl-1,7-dipropylcyclonona-1,3-diene is sourced from PubChem (CID 174306687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).