1,6-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene

C19H28F2 — CID 147765310

IUPAC1,6-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
SMILESCC1CCC(C2CCC(C3=CCC(F)C(F)=C3)CC2)CC1
InChIInChI=1S/C19H28F2/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)17-10-11-18(20)19(21)12-17/h10,12-16,18H,2-9,11H2,1H3
InChIKeyHEWLJWCNIOJYNC-UHFFFAOYSA-N
MW294.43 g/mol
LogP6.14
Rot. Bonds2

About 1,6-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene

1,6-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene (PubChem CID 147765310) has the molecular formula C19H28F2 and a molecular weight of 294.43 g/mol. Its IUPAC name is 1,6-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene.

Molecular Properties

Compound Name1,6-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
PubChem CID147765310
Molecular FormulaC19H28F2
Molecular Weight294.43 g/mol
Exact Mass294.22
IUPAC Name1,6-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
SMILESCC1CCC(C2CCC(C3=CCC(F)C(F)=C3)CC2)CC1
InChIInChI=1S/C19H28F2/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)17-10-11-18(20)19(21)12-17/h10,12-16,18H,2-9,11H2,1H3
InChIKeyHEWLJWCNIOJYNC-UHFFFAOYSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.43
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)cyclohexa-2,4-dien-1-yl]-1-(trifluoromethyl)benzene
CID 162576999
2-fluoro-1,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 134509872
1-(3-fluoro-4-methylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexene
CID 177321446
1,2,3-trifluoro-5-[4-(4-methylcyclohexyl)cyclohexa-2,4-dien-1-yl]benzene
CID 23197854
1-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;methane;molecular hydrogen
CID 160545349
2,6-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]phenol
CID 71101076
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexane;hydrate
CID 169431622
3-fluoro-1,2-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 71046263
1-fluoro-2-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 23574055
(1Z,4R,7S,10S)-1-fluoro-4,10-dimethyl-7-propan-2-ylcyclodecene
CID 121473261
6-methyl-2-(4-methylcyclohexyl)cyclohexa-1,3-diene
CID 142209321
1-methyl-4-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20580006

Frequently Asked Questions

What is the IUPAC name of 1,6-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene?
The IUPAC name of 1,6-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene (CID 147765310) is 1,6-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene.
What is the SMILES notation for 1,6-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene?
The canonical SMILES for 1,6-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene is CC1CCC(C2CCC(C3=CCC(F)C(F)=C3)CC2)CC1.
What is the InChIKey of 1,6-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene?
The InChIKey is HEWLJWCNIOJYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28F2/c1-13-2-4-14(5-3-13)15-6-8-16(9-7-15)17-10-11-18(20)19(21)12-17/h10,12-16,18H,2-9,11H2,1H3.
What are the key properties of 1,6-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene?
1,6-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene has a molecular weight of 294.43 g/mol, XLogP of 6.14, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-difluoro-3-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene is sourced from PubChem (CID 147765310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).