(E,6S)-2-fluoro-6-methoxy-5-methylhept-2-ene

C9H17FO — CID 174009548

IUPAC(E,6S)-2-fluoro-6-methoxy-5-methylhept-2-ene
SMILESCO[C@@H](C)C(C)C/C=C(\C)F
InChIInChI=1S/C9H17FO/c1-7(9(3)11-4)5-6-8(2)10/h6-7,9H,5H2,1-4H3/b8-6+/t7?,9-/m0/s1
InChIKeyXZGMAQOAXBCXQM-OHVLTDBXSA-N
MW160.23 g/mol
LogP2.92
Rot. Bonds4

About (E,6S)-2-fluoro-6-methoxy-5-methylhept-2-ene

(E,6S)-2-fluoro-6-methoxy-5-methylhept-2-ene (PubChem CID 174009548) has the molecular formula C9H17FO and a molecular weight of 160.23 g/mol. Its IUPAC name is (E,6S)-2-fluoro-6-methoxy-5-methylhept-2-ene.

Molecular Properties

Compound Name(E,6S)-2-fluoro-6-methoxy-5-methylhept-2-ene
PubChem CID174009548
Molecular FormulaC9H17FO
Molecular Weight160.23 g/mol
Exact Mass160.13
IUPAC Name(E,6S)-2-fluoro-6-methoxy-5-methylhept-2-ene
SMILESCO[C@@H](C)C(C)C/C=C(\C)F
InChIInChI=1S/C9H17FO/c1-7(9(3)11-4)5-6-8(2)10/h6-7,9H,5H2,1-4H3/b8-6+/t7?,9-/m0/s1
InChIKeyXZGMAQOAXBCXQM-OHVLTDBXSA-N
XLogP2.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.23
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E,6S)-2-fluoro-6-methoxy-5-methylhept-2-ene?
The IUPAC name of (E,6S)-2-fluoro-6-methoxy-5-methylhept-2-ene (CID 174009548) is (E,6S)-2-fluoro-6-methoxy-5-methylhept-2-ene.
What is the SMILES notation for (E,6S)-2-fluoro-6-methoxy-5-methylhept-2-ene?
The canonical SMILES for (E,6S)-2-fluoro-6-methoxy-5-methylhept-2-ene is CO[C@@H](C)C(C)C/C=C(\C)F.
What is the InChIKey of (E,6S)-2-fluoro-6-methoxy-5-methylhept-2-ene?
The InChIKey is XZGMAQOAXBCXQM-OHVLTDBXSA-N. The full InChI is InChI=1S/C9H17FO/c1-7(9(3)11-4)5-6-8(2)10/h6-7,9H,5H2,1-4H3/b8-6+/t7?,9-/m0/s1.
What are the key properties of (E,6S)-2-fluoro-6-methoxy-5-methylhept-2-ene?
(E,6S)-2-fluoro-6-methoxy-5-methylhept-2-ene has a molecular weight of 160.23 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,6S)-2-fluoro-6-methoxy-5-methylhept-2-ene is sourced from PubChem (CID 174009548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).