(E)-3-ethyl-1,1,1,2-tetrafluoro-6-methylhept-2-ene

C10H16F4 — CID 155402389

IUPAC(E)-3-ethyl-1,1,1,2-tetrafluoro-6-methylhept-2-ene
SMILESCC/C(CCC(C)C)=C(\F)C(F)(F)F
InChIInChI=1S/C10H16F4/c1-4-8(6-5-7(2)3)9(11)10(12,13)14/h7H,4-6H2,1-3H3/b9-8+
InChIKeyMHQCSIHLAPSHDN-CMDGGOBGSA-N
MW212.23 g/mol
LogP4.62
Rot. Bonds4

About (E)-3-ethyl-1,1,1,2-tetrafluoro-6-methylhept-2-ene

(E)-3-ethyl-1,1,1,2-tetrafluoro-6-methylhept-2-ene (PubChem CID 155402389) has the molecular formula C10H16F4 and a molecular weight of 212.23 g/mol. Its IUPAC name is (E)-3-ethyl-1,1,1,2-tetrafluoro-6-methylhept-2-ene.

Molecular Properties

Compound Name(E)-3-ethyl-1,1,1,2-tetrafluoro-6-methylhept-2-ene
PubChem CID155402389
Molecular FormulaC10H16F4
Molecular Weight212.23 g/mol
Exact Mass212.12
IUPAC Name(E)-3-ethyl-1,1,1,2-tetrafluoro-6-methylhept-2-ene
SMILESCC/C(CCC(C)C)=C(\F)C(F)(F)F
InChIInChI=1S/C10H16F4/c1-4-8(6-5-7(2)3)9(11)10(12,13)14/h7H,4-6H2,1-3H3/b9-8+
InChIKeyMHQCSIHLAPSHDN-CMDGGOBGSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (E)-3-ethyl-1,1,1,2-tetrafluoro-6-methylhept-2-ene?
The IUPAC name of (E)-3-ethyl-1,1,1,2-tetrafluoro-6-methylhept-2-ene (CID 155402389) is (E)-3-ethyl-1,1,1,2-tetrafluoro-6-methylhept-2-ene.
What is the SMILES notation for (E)-3-ethyl-1,1,1,2-tetrafluoro-6-methylhept-2-ene?
The canonical SMILES for (E)-3-ethyl-1,1,1,2-tetrafluoro-6-methylhept-2-ene is CC/C(CCC(C)C)=C(\F)C(F)(F)F.
What is the InChIKey of (E)-3-ethyl-1,1,1,2-tetrafluoro-6-methylhept-2-ene?
The InChIKey is MHQCSIHLAPSHDN-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H16F4/c1-4-8(6-5-7(2)3)9(11)10(12,13)14/h7H,4-6H2,1-3H3/b9-8+.
What are the key properties of (E)-3-ethyl-1,1,1,2-tetrafluoro-6-methylhept-2-ene?
(E)-3-ethyl-1,1,1,2-tetrafluoro-6-methylhept-2-ene has a molecular weight of 212.23 g/mol, XLogP of 4.62, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethyl-1,1,1,2-tetrafluoro-6-methylhept-2-ene is sourced from PubChem (CID 155402389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).