1-(difluoromethoxy)-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexen-1-yl]benzene

C22H28F2O — CID 126551718

IUPAC1-(difluoromethoxy)-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexen-1-yl]benzene
SMILESC/C=C/C1CCC(C2CC=C(c3ccc(OC(F)F)cc3)CC2)CC1
InChIInChI=1S/C22H28F2O/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(15-13-20)25-22(23)24/h2-3,10,12-18,22H,4-9,11H2,1H3/b3-2+
InChIKeyLDTNQTBINPLRHH-NSCUHMNNSA-N
MW346.46 g/mol
LogP6.85
Rot. Bonds5

About 1-(difluoromethoxy)-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexen-1-yl]benzene

1-(difluoromethoxy)-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexen-1-yl]benzene (PubChem CID 126551718) has the molecular formula C22H28F2O and a molecular weight of 346.46 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexen-1-yl]benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexen-1-yl]benzene
PubChem CID126551718
Molecular FormulaC22H28F2O
Molecular Weight346.46 g/mol
Exact Mass346.21
IUPAC Name1-(difluoromethoxy)-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexen-1-yl]benzene
SMILESC/C=C/C1CCC(C2CC=C(c3ccc(OC(F)F)cc3)CC2)CC1
InChIInChI=1S/C22H28F2O/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(15-13-20)25-22(23)24/h2-3,10,12-18,22H,4-9,11H2,1H3/b3-2+
InChIKeyLDTNQTBINPLRHH-NSCUHMNNSA-N
XLogP6.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.46
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methane;molecular hydrogen;1-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexen-1-yl]-4-(trifluoromethoxy)benzene
CID 159981765
2,3-difluoro-1-[4-[2-fluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexen-1-yl]phenyl]phenyl]-4-methylbenzene
CID 67739102
1-ethoxy-2,3-difluoro-4-[4-[3-fluoro-4-[4-(4-prop-1-enylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]benzene
CID 77345698
2,3-difluoro-1-[4-[2-fluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexen-1-yl]phenyl]phenyl]-4-pentylbenzene
CID 67739112
2,3-difluoro-1-pentyl-4-[4-(4-prop-1-enylcyclohexyl)cyclohexen-1-yl]benzene
CID 76631739
1-(difluoromethoxy)-4-[4-(4-propylcyclohex-3-en-1-yl)cyclohexyl]benzene
CID 19436175
2,3-difluoro-1-[4-[3-fluoro-4-[4-(4-prop-1-enylcyclohexyl)cyclohexen-1-yl]phenyl]phenyl]-4-pentoxybenzene
CID 77345699
2,3-difluoro-1-[4-[3-fluoro-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexen-1-yl]phenyl]phenyl]-4-nonoxybenzene
CID 67739673
1,3-difluoro-5-[4-(4-pent-1-enylcyclohexyl)cyclohexen-1-yl]benzene
CID 139890200
[4-(difluoromethoxy)phenyl] 3,5-difluoro-4-[6-[(E)-prop-1-enyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]benzoate
CID 139870145
2-(difluoromethyl)-1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]benzene
CID 126556663
1,4-bis[4-(4-prop-2-enylcyclohexyl)cyclohexen-1-yl]benzene
CID 173416619

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexen-1-yl]benzene?
The IUPAC name of 1-(difluoromethoxy)-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexen-1-yl]benzene (CID 126551718) is 1-(difluoromethoxy)-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexen-1-yl]benzene.
What is the SMILES notation for 1-(difluoromethoxy)-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexen-1-yl]benzene?
The canonical SMILES for 1-(difluoromethoxy)-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexen-1-yl]benzene is C/C=C/C1CCC(C2CC=C(c3ccc(OC(F)F)cc3)CC2)CC1.
What is the InChIKey of 1-(difluoromethoxy)-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexen-1-yl]benzene?
The InChIKey is LDTNQTBINPLRHH-NSCUHMNNSA-N. The full InChI is InChI=1S/C22H28F2O/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(15-13-20)25-22(23)24/h2-3,10,12-18,22H,4-9,11H2,1H3/b3-2+.
What are the key properties of 1-(difluoromethoxy)-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexen-1-yl]benzene?
1-(difluoromethoxy)-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexen-1-yl]benzene has a molecular weight of 346.46 g/mol, XLogP of 6.85, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexen-1-yl]benzene is sourced from PubChem (CID 126551718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).