3,3-difluoropiperidine;3,3-difluoropyrrolidine;ethane;morpholine

C15H31F4N3O — CID 145216920

IUPAC3,3-difluoropiperidine;3,3-difluoropyrrolidine;ethane;morpholine
SMILESC1COCCN1.CC.FC1(F)CCCNC1.FC1(F)CCNC1
InChIInChI=1S/C5H9F2N.C4H7F2N.C4H9NO.C2H6/c6-5(7)2-1-3-8-4-5;5-4(6)1-2-7-3-4;1-3-6-4-2-5-1;1-2/h8H,1-4H2;7H,1-3H2;5H,1-4H2;1-2H3
InChIKeyPXDWUYNDGAVQLO-UHFFFAOYSA-N
MW345.43 g/mol
LogP2.25
Rot. Bonds

About 3,3-difluoropiperidine;3,3-difluoropyrrolidine;ethane;morpholine

3,3-difluoropiperidine;3,3-difluoropyrrolidine;ethane;morpholine (PubChem CID 145216920) has the molecular formula C15H31F4N3O and a molecular weight of 345.43 g/mol. Its IUPAC name is 3,3-difluoropiperidine;3,3-difluoropyrrolidine;ethane;morpholine.

Molecular Properties

Compound Name3,3-difluoropiperidine;3,3-difluoropyrrolidine;ethane;morpholine
PubChem CID145216920
Molecular FormulaC15H31F4N3O
Molecular Weight345.43 g/mol
Exact Mass345.24
IUPAC Name3,3-difluoropiperidine;3,3-difluoropyrrolidine;ethane;morpholine
SMILESC1COCCN1.CC.FC1(F)CCCNC1.FC1(F)CCNC1
InChIInChI=1S/C5H9F2N.C4H7F2N.C4H9NO.C2H6/c6-5(7)2-1-3-8-4-5;5-4(6)1-2-7-3-4;1-3-6-4-2-5-1;1-2/h8H,1-4H2;7H,1-3H2;5H,1-4H2;1-2H3
InChIKeyPXDWUYNDGAVQLO-UHFFFAOYSA-N
XLogP2.25
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.43
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-difluoroazepane;ethane
CID 142117389
3,3-difluoroazepane;hydrochloride
CID 118798396
but-2-yne;cyclohexane;3,3-difluoropiperidine
CID 144886146
ethane;morpholine
CID 91516807
morpholine;pyrrolidine
CID 159577273
3,3-difluoroazetidine;4,4-difluoropiperidine;hydrochloride
CID 159412797
3,3-difluoropiperidine;2,2,2-trifluoroacetic acid
CID 174927195
cyclobutane;morpholine
CID 158402895
1-oxa-4,7,10-triazacyclotridecane
CID 22755933
cyclohexane;methanamine;morpholine
CID 142332361
3-fluoro-3-iodopiperidine
CID 126739580
morpholine;piperidine;propane
CID 144636316

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoropiperidine;3,3-difluoropyrrolidine;ethane;morpholine?
The IUPAC name of 3,3-difluoropiperidine;3,3-difluoropyrrolidine;ethane;morpholine (CID 145216920) is 3,3-difluoropiperidine;3,3-difluoropyrrolidine;ethane;morpholine.
What is the SMILES notation for 3,3-difluoropiperidine;3,3-difluoropyrrolidine;ethane;morpholine?
The canonical SMILES for 3,3-difluoropiperidine;3,3-difluoropyrrolidine;ethane;morpholine is C1COCCN1.CC.FC1(F)CCCNC1.FC1(F)CCNC1.
What is the InChIKey of 3,3-difluoropiperidine;3,3-difluoropyrrolidine;ethane;morpholine?
The InChIKey is PXDWUYNDGAVQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2N.C4H7F2N.C4H9NO.C2H6/c6-5(7)2-1-3-8-4-5;5-4(6)1-2-7-3-4;1-3-6-4-2-5-1;1-2/h8H,1-4H2;7H,1-3H2;5H,1-4H2;1-2H3.
What are the key properties of 3,3-difluoropiperidine;3,3-difluoropyrrolidine;ethane;morpholine?
3,3-difluoropiperidine;3,3-difluoropyrrolidine;ethane;morpholine has a molecular weight of 345.43 g/mol, XLogP of 2.25, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropiperidine;3,3-difluoropyrrolidine;ethane;morpholine is sourced from PubChem (CID 145216920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).