1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexylidene]cyclohexa-1,3-diene

C19H25F3 — CID 163646504

IUPAC1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexylidene]cyclohexa-1,3-diene
SMILESCC1CCC(C2CCC(=C3C=C(F)C(F)=C(F)C3)CC2)CC1
InChIInChI=1S/C19H25F3/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-17(20)19(22)18(21)11-16/h10,12-14H,2-9,11H2,1H3/b16-15-
InChIKeyIIQSVWQCFQKMCK-NXVVXOECSA-N
MW310.40 g/mol
LogP6.71
Rot. Bonds1

About 1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexylidene]cyclohexa-1,3-diene

1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexylidene]cyclohexa-1,3-diene (PubChem CID 163646504) has the molecular formula C19H25F3 and a molecular weight of 310.40 g/mol. Its IUPAC name is 1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexylidene]cyclohexa-1,3-diene.

Molecular Properties

Compound Name1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexylidene]cyclohexa-1,3-diene
PubChem CID163646504
Molecular FormulaC19H25F3
Molecular Weight310.40 g/mol
Exact Mass310.19
IUPAC Name1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexylidene]cyclohexa-1,3-diene
SMILESCC1CCC(C2CCC(=C3C=C(F)C(F)=C(F)C3)CC2)CC1
InChIInChI=1S/C19H25F3/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-17(20)19(22)18(21)11-16/h10,12-14H,2-9,11H2,1H3/b16-15-
InChIKeyIIQSVWQCFQKMCK-NXVVXOECSA-N
XLogP6.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 56.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexylidene]cyclohexa-1,3-diene?
The IUPAC name of 1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexylidene]cyclohexa-1,3-diene (CID 163646504) is 1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexylidene]cyclohexa-1,3-diene.
What is the SMILES notation for 1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexylidene]cyclohexa-1,3-diene?
The canonical SMILES for 1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexylidene]cyclohexa-1,3-diene is CC1CCC(C2CCC(=C3C=C(F)C(F)=C(F)C3)CC2)CC1.
What is the InChIKey of 1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexylidene]cyclohexa-1,3-diene?
The InChIKey is IIQSVWQCFQKMCK-NXVVXOECSA-N. The full InChI is InChI=1S/C19H25F3/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-17(20)19(22)18(21)11-16/h10,12-14H,2-9,11H2,1H3/b16-15-.
What are the key properties of 1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexylidene]cyclohexa-1,3-diene?
1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexylidene]cyclohexa-1,3-diene has a molecular weight of 310.40 g/mol, XLogP of 6.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexylidene]cyclohexa-1,3-diene is sourced from PubChem (CID 163646504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).