(3R,6R)-1,3,4,5,6-pentafluoro-2-(2-methylpropyl)cyclohexene

C10H13F5 — CID 89392791

IUPAC(3R,6R)-1,3,4,5,6-pentafluoro-2-(2-methylpropyl)cyclohexene
SMILESCC(C)CC1=C(F)[C@H](F)C(F)C(F)[C@@H]1F
InChIInChI=1S/C10H13F5/c1-4(2)3-5-6(11)8(13)10(15)9(14)7(5)12/h4,6,8-10H,3H2,1-2H3/t6-,8?,9+,10?/m1/s1
InChIKeyZMVZOUXRRUGDJV-NASUTGSSSA-N
MW228.20 g/mol
LogP3.62
Rot. Bonds2

About (3R,6R)-1,3,4,5,6-pentafluoro-2-(2-methylpropyl)cyclohexene

(3R,6R)-1,3,4,5,6-pentafluoro-2-(2-methylpropyl)cyclohexene (PubChem CID 89392791) has the molecular formula C10H13F5 and a molecular weight of 228.20 g/mol. Its IUPAC name is (3R,6R)-1,3,4,5,6-pentafluoro-2-(2-methylpropyl)cyclohexene.

Molecular Properties

Compound Name(3R,6R)-1,3,4,5,6-pentafluoro-2-(2-methylpropyl)cyclohexene
PubChem CID89392791
Molecular FormulaC10H13F5
Molecular Weight228.20 g/mol
Exact Mass228.09
IUPAC Name(3R,6R)-1,3,4,5,6-pentafluoro-2-(2-methylpropyl)cyclohexene
SMILESCC(C)CC1=C(F)[C@H](F)C(F)C(F)[C@@H]1F
InChIInChI=1S/C10H13F5/c1-4(2)3-5-6(11)8(13)10(15)9(14)7(5)12/h4,6,8-10H,3H2,1-2H3/t6-,8?,9+,10?/m1/s1
InChIKeyZMVZOUXRRUGDJV-NASUTGSSSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (3R,6R)-1,3,4,5,6-pentafluoro-2-(2-methylpropyl)cyclohexene?
The IUPAC name of (3R,6R)-1,3,4,5,6-pentafluoro-2-(2-methylpropyl)cyclohexene (CID 89392791) is (3R,6R)-1,3,4,5,6-pentafluoro-2-(2-methylpropyl)cyclohexene.
What is the SMILES notation for (3R,6R)-1,3,4,5,6-pentafluoro-2-(2-methylpropyl)cyclohexene?
The canonical SMILES for (3R,6R)-1,3,4,5,6-pentafluoro-2-(2-methylpropyl)cyclohexene is CC(C)CC1=C(F)[C@H](F)C(F)C(F)[C@@H]1F.
What is the InChIKey of (3R,6R)-1,3,4,5,6-pentafluoro-2-(2-methylpropyl)cyclohexene?
The InChIKey is ZMVZOUXRRUGDJV-NASUTGSSSA-N. The full InChI is InChI=1S/C10H13F5/c1-4(2)3-5-6(11)8(13)10(15)9(14)7(5)12/h4,6,8-10H,3H2,1-2H3/t6-,8?,9+,10?/m1/s1.
What are the key properties of (3R,6R)-1,3,4,5,6-pentafluoro-2-(2-methylpropyl)cyclohexene?
(3R,6R)-1,3,4,5,6-pentafluoro-2-(2-methylpropyl)cyclohexene has a molecular weight of 228.20 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-1,3,4,5,6-pentafluoro-2-(2-methylpropyl)cyclohexene is sourced from PubChem (CID 89392791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).