4-[4-[1,1-difluoro-3-(1-methylcyclohexyl)prop-1-en-2-yl]phenyl]morpholine

C20H27F2NO — CID 138965440

IUPAC4-[4-[1,1-difluoro-3-(1-methylcyclohexyl)prop-1-en-2-yl]phenyl]morpholine
SMILESCC1(CC(=C(F)F)c2ccc(N3CCOCC3)cc2)CCCCC1
InChIInChI=1S/C20H27F2NO/c1-20(9-3-2-4-10-20)15-18(19(21)22)16-5-7-17(8-6-16)23-11-13-24-14-12-23/h5-8H,2-4,9-15H2,1H3
InChIKeyJGILQPVEAGEAAV-UHFFFAOYSA-N
MW335.44 g/mol
LogP5.49
Rot. Bonds4

About 4-[4-[1,1-difluoro-3-(1-methylcyclohexyl)prop-1-en-2-yl]phenyl]morpholine

4-[4-[1,1-difluoro-3-(1-methylcyclohexyl)prop-1-en-2-yl]phenyl]morpholine (PubChem CID 138965440) has the molecular formula C20H27F2NO and a molecular weight of 335.44 g/mol. Its IUPAC name is 4-[4-[1,1-difluoro-3-(1-methylcyclohexyl)prop-1-en-2-yl]phenyl]morpholine.

Molecular Properties

Compound Name4-[4-[1,1-difluoro-3-(1-methylcyclohexyl)prop-1-en-2-yl]phenyl]morpholine
PubChem CID138965440
Molecular FormulaC20H27F2NO
Molecular Weight335.44 g/mol
Exact Mass335.21
IUPAC Name4-[4-[1,1-difluoro-3-(1-methylcyclohexyl)prop-1-en-2-yl]phenyl]morpholine
SMILESCC1(CC(=C(F)F)c2ccc(N3CCOCC3)cc2)CCCCC1
InChIInChI=1S/C20H27F2NO/c1-20(9-3-2-4-10-20)15-18(19(21)22)16-5-7-17(8-6-16)23-11-13-24-14-12-23/h5-8H,2-4,9-15H2,1H3
InChIKeyJGILQPVEAGEAAV-UHFFFAOYSA-N
XLogP5.49
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.44
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[1,1-difluoro-3-(1-methylcyclohexyl)prop-1-en-2-yl]phenyl]morpholine?
The IUPAC name of 4-[4-[1,1-difluoro-3-(1-methylcyclohexyl)prop-1-en-2-yl]phenyl]morpholine (CID 138965440) is 4-[4-[1,1-difluoro-3-(1-methylcyclohexyl)prop-1-en-2-yl]phenyl]morpholine.
What is the SMILES notation for 4-[4-[1,1-difluoro-3-(1-methylcyclohexyl)prop-1-en-2-yl]phenyl]morpholine?
The canonical SMILES for 4-[4-[1,1-difluoro-3-(1-methylcyclohexyl)prop-1-en-2-yl]phenyl]morpholine is CC1(CC(=C(F)F)c2ccc(N3CCOCC3)cc2)CCCCC1.
What is the InChIKey of 4-[4-[1,1-difluoro-3-(1-methylcyclohexyl)prop-1-en-2-yl]phenyl]morpholine?
The InChIKey is JGILQPVEAGEAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2NO/c1-20(9-3-2-4-10-20)15-18(19(21)22)16-5-7-17(8-6-16)23-11-13-24-14-12-23/h5-8H,2-4,9-15H2,1H3.
What are the key properties of 4-[4-[1,1-difluoro-3-(1-methylcyclohexyl)prop-1-en-2-yl]phenyl]morpholine?
4-[4-[1,1-difluoro-3-(1-methylcyclohexyl)prop-1-en-2-yl]phenyl]morpholine has a molecular weight of 335.44 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1,1-difluoro-3-(1-methylcyclohexyl)prop-1-en-2-yl]phenyl]morpholine is sourced from PubChem (CID 138965440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).