(5R)-5-ethyl-2-fluoro-3-(trifluoromethyl)cyclohexa-1,3-diene

C9H10F4 — CID 70214338

IUPAC(5R)-5-ethyl-2-fluoro-3-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCC[C@H]1C=C(C(F)(F)F)C(F)=CC1
InChIInChI=1S/C9H10F4/c1-2-6-3-4-8(10)7(5-6)9(11,12)13/h4-6H,2-3H2,1H3/t6-/m1/s1
InChIKeySVGRMCHYRMRBPA-ZCFIWIBFSA-N
MW194.17 g/mol
LogP3.76
Rot. Bonds1

About (5R)-5-ethyl-2-fluoro-3-(trifluoromethyl)cyclohexa-1,3-diene

(5R)-5-ethyl-2-fluoro-3-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 70214338) has the molecular formula C9H10F4 and a molecular weight of 194.17 g/mol. Its IUPAC name is (5R)-5-ethyl-2-fluoro-3-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name(5R)-5-ethyl-2-fluoro-3-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID70214338
Molecular FormulaC9H10F4
Molecular Weight194.17 g/mol
Exact Mass194.07
IUPAC Name(5R)-5-ethyl-2-fluoro-3-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCC[C@H]1C=C(C(F)(F)F)C(F)=CC1
InChIInChI=1S/C9H10F4/c1-2-6-3-4-8(10)7(5-6)9(11,12)13/h4-6H,2-3H2,1H3/t6-/m1/s1
InChIKeySVGRMCHYRMRBPA-ZCFIWIBFSA-N
XLogP3.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.17
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-2-fluoro-3-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of (5R)-5-ethyl-2-fluoro-3-(trifluoromethyl)cyclohexa-1,3-diene (CID 70214338) is (5R)-5-ethyl-2-fluoro-3-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for (5R)-5-ethyl-2-fluoro-3-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for (5R)-5-ethyl-2-fluoro-3-(trifluoromethyl)cyclohexa-1,3-diene is CC[C@H]1C=C(C(F)(F)F)C(F)=CC1.
What is the InChIKey of (5R)-5-ethyl-2-fluoro-3-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is SVGRMCHYRMRBPA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H10F4/c1-2-6-3-4-8(10)7(5-6)9(11,12)13/h4-6H,2-3H2,1H3/t6-/m1/s1.
What are the key properties of (5R)-5-ethyl-2-fluoro-3-(trifluoromethyl)cyclohexa-1,3-diene?
(5R)-5-ethyl-2-fluoro-3-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 194.17 g/mol, XLogP of 3.76, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-ethyl-2-fluoro-3-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 70214338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).