(5R)-5-methoxy-1-(trifluoromethyl)cyclohexa-1,3-diene

C8H9F3O — CID 131977860

IUPAC(5R)-5-methoxy-1-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCO[C@H]1C=CC=C(C(F)(F)F)C1
InChIInChI=1S/C8H9F3O/c1-12-7-4-2-3-6(5-7)8(9,10)11/h2-4,7H,5H2,1H3/t7-/m0/s1
InChIKeyGUUHXQFCLWCDAP-ZETCQYMHSA-N
MW178.15 g/mol
LogP2.45
Rot. Bonds1

About (5R)-5-methoxy-1-(trifluoromethyl)cyclohexa-1,3-diene

(5R)-5-methoxy-1-(trifluoromethyl)cyclohexa-1,3-diene (PubChem CID 131977860) has the molecular formula C8H9F3O and a molecular weight of 178.15 g/mol. Its IUPAC name is (5R)-5-methoxy-1-(trifluoromethyl)cyclohexa-1,3-diene.

Molecular Properties

Compound Name(5R)-5-methoxy-1-(trifluoromethyl)cyclohexa-1,3-diene
PubChem CID131977860
Molecular FormulaC8H9F3O
Molecular Weight178.15 g/mol
Exact Mass178.06
IUPAC Name(5R)-5-methoxy-1-(trifluoromethyl)cyclohexa-1,3-diene
SMILESCO[C@H]1C=CC=C(C(F)(F)F)C1
InChIInChI=1S/C8H9F3O/c1-12-7-4-2-3-6(5-7)8(9,10)11/h2-4,7H,5H2,1H3/t7-/m0/s1
InChIKeyGUUHXQFCLWCDAP-ZETCQYMHSA-N
XLogP2.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]methanol
CID 173175959
5-(trifluoromethyl)cyclohexa-2,4-diene-1-sulfinate
CID 71070664
1-ethoxy-5-methoxycyclohexa-1,3-diene
CID 173070219
[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]benzene
CID 175695808
1-methyl-5-(trifluoromethoxy)cyclohexa-1,3-diene
CID 123682570
(E)-1-(5-methoxycyclohexa-1,3-dien-1-yl)-3-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 162602011
4-[5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]thiadiazolidine
CID 147347731
1-methoxy-3-(5-methoxycyclohexa-1,3-dien-1-yl)sulfanylbenzene
CID 123886543
carbon monoxide;iron;(5-methoxycyclohexa-1,3-dien-1-yl)sulfonylbenzene
CID 11811206
2-fluoro-1-(5-methylcyclohexa-2,4-dien-1-yl)oxy-3-(trifluoromethyl)benzene
CID 71161433
6-methoxy-2-(trifluoromethyl)cyclohexa-1,3-diene
CID 146989399
1-tert-butyl-5-chlorocyclohexa-1,3-diene
CID 173042938

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methoxy-1-(trifluoromethyl)cyclohexa-1,3-diene?
The IUPAC name of (5R)-5-methoxy-1-(trifluoromethyl)cyclohexa-1,3-diene (CID 131977860) is (5R)-5-methoxy-1-(trifluoromethyl)cyclohexa-1,3-diene.
What is the SMILES notation for (5R)-5-methoxy-1-(trifluoromethyl)cyclohexa-1,3-diene?
The canonical SMILES for (5R)-5-methoxy-1-(trifluoromethyl)cyclohexa-1,3-diene is CO[C@H]1C=CC=C(C(F)(F)F)C1.
What is the InChIKey of (5R)-5-methoxy-1-(trifluoromethyl)cyclohexa-1,3-diene?
The InChIKey is GUUHXQFCLWCDAP-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H9F3O/c1-12-7-4-2-3-6(5-7)8(9,10)11/h2-4,7H,5H2,1H3/t7-/m0/s1.
What are the key properties of (5R)-5-methoxy-1-(trifluoromethyl)cyclohexa-1,3-diene?
(5R)-5-methoxy-1-(trifluoromethyl)cyclohexa-1,3-diene has a molecular weight of 178.15 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methoxy-1-(trifluoromethyl)cyclohexa-1,3-diene is sourced from PubChem (CID 131977860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).