6-cyclohexa-1,5-dien-1-yl-2,2-difluoromorpholine

C10H13F2NO — CID 178115857

IUPAC6-cyclohexa-1,5-dien-1-yl-2,2-difluoromorpholine
SMILESFC1(F)CNCC(C2=CCCC=C2)O1
InChIInChI=1S/C10H13F2NO/c11-10(12)7-13-6-9(14-10)8-4-2-1-3-5-8/h2,4-5,9,13H,1,3,6-7H2
InChIKeyBAUQVKYUWSLCCZ-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.84
Rot. Bonds1

About 6-cyclohexa-1,5-dien-1-yl-2,2-difluoromorpholine

6-cyclohexa-1,5-dien-1-yl-2,2-difluoromorpholine (PubChem CID 178115857) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 6-cyclohexa-1,5-dien-1-yl-2,2-difluoromorpholine.

Molecular Properties

Compound Name6-cyclohexa-1,5-dien-1-yl-2,2-difluoromorpholine
PubChem CID178115857
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name6-cyclohexa-1,5-dien-1-yl-2,2-difluoromorpholine
SMILESFC1(F)CNCC(C2=CCCC=C2)O1
InChIInChI=1S/C10H13F2NO/c11-10(12)7-13-6-9(14-10)8-4-2-1-3-5-8/h2,4-5,9,13H,1,3,6-7H2
InChIKeyBAUQVKYUWSLCCZ-UHFFFAOYSA-N
XLogP1.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4,6-Difluorocyclohexa-1,3-dien-1-yl)morpholine
CID 69965133
3-[3-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypyrrolidine
CID 70973198
2-[(6S)-4,6-difluorocyclohexa-1,3-dien-1-yl]morpholine
CID 118312426
1-[(6S)-4,5-bis(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 134224607
8-(trifluoromethyl)-3,5a,9a,10-tetrahydro-2H-phenoxazine
CID 135193066
4-[[4-Fluoro-4-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methoxy]piperidine
CID 140229680
4-[2-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]oxypiperidine
CID 142028547
(4E)-2-ethoxy-4-fluoro-N-methyl-3-propan-2-ylidenehepta-4,6-dien-1-amine
CID 142279471
1-[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]-N-methylmethanamine
CID 142279546
N-[[5-ethenyl-4-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methyl]propan-1-amine
CID 145138560
4-[2-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]oxypiperidine
CID 145651622
2-(4-Fluorocyclohexa-1,5-dien-1-yl)morpholine
CID 147833140

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexa-1,5-dien-1-yl-2,2-difluoromorpholine?
The IUPAC name of 6-cyclohexa-1,5-dien-1-yl-2,2-difluoromorpholine (CID 178115857) is 6-cyclohexa-1,5-dien-1-yl-2,2-difluoromorpholine.
What is the SMILES notation for 6-cyclohexa-1,5-dien-1-yl-2,2-difluoromorpholine?
The canonical SMILES for 6-cyclohexa-1,5-dien-1-yl-2,2-difluoromorpholine is FC1(F)CNCC(C2=CCCC=C2)O1.
What is the InChIKey of 6-cyclohexa-1,5-dien-1-yl-2,2-difluoromorpholine?
The InChIKey is BAUQVKYUWSLCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c11-10(12)7-13-6-9(14-10)8-4-2-1-3-5-8/h2,4-5,9,13H,1,3,6-7H2.
What are the key properties of 6-cyclohexa-1,5-dien-1-yl-2,2-difluoromorpholine?
6-cyclohexa-1,5-dien-1-yl-2,2-difluoromorpholine has a molecular weight of 201.22 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexa-1,5-dien-1-yl-2,2-difluoromorpholine is sourced from PubChem (CID 178115857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).