3,3-difluoropyrrolidine;(3Z,5Z)-4-methylhepta-1,3,5-triene

C12H19F2N — CID 156749647

IUPAC3,3-difluoropyrrolidine;(3Z,5Z)-4-methylhepta-1,3,5-triene
SMILESC=C/C=C(C)\C=C/C.FC1(F)CCNC1
InChIInChI=1S/C8H12.C4H7F2N/c1-4-6-8(3)7-5-2;5-4(6)1-2-7-3-4/h4-7H,1H2,2-3H3;7H,1-3H2/b7-5-,8-6-;
InChIKeyQIZARHWXQZZSHJ-OVDGFJEXSA-N
MW215.29 g/mol
LogP3.31
Rot. Bonds2

About 3,3-difluoropyrrolidine;(3Z,5Z)-4-methylhepta-1,3,5-triene

3,3-difluoropyrrolidine;(3Z,5Z)-4-methylhepta-1,3,5-triene (PubChem CID 156749647) has the molecular formula C12H19F2N and a molecular weight of 215.29 g/mol. Its IUPAC name is 3,3-difluoropyrrolidine;(3Z,5Z)-4-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name3,3-difluoropyrrolidine;(3Z,5Z)-4-methylhepta-1,3,5-triene
PubChem CID156749647
Molecular FormulaC12H19F2N
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3,3-difluoropyrrolidine;(3Z,5Z)-4-methylhepta-1,3,5-triene
SMILESC=C/C=C(C)\C=C/C.FC1(F)CCNC1
InChIInChI=1S/C8H12.C4H7F2N/c1-4-6-8(3)7-5-2;5-4(6)1-2-7-3-4/h4-7H,1H2,2-3H3;7H,1-3H2/b7-5-,8-6-;
InChIKeyQIZARHWXQZZSHJ-OVDGFJEXSA-N
XLogP3.31
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;methoxyethane;(3Z,5Z)-4-methylhepta-1,3,5-triene
CID 142066617
ethane;(2Z,4Z)-3-methylhexa-2,4-diene;prop-1-ene
CID 142046723
4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidine-4-carbonitrile
CID 143443266
(3Z,5Z,7E)-6-methylnona-1,3,5,7-tetraene
CID 144512529
3,3-difluoroazepane;ethane
CID 142117389
4-methyl-4-penta-2,4-dien-2-ylpiperidine
CID 123383540
(4E,6Z)-2,5-dimethylocta-2,4,6-triene
CID 124560377
1-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1,3,8-triazaspiro[4.5]decan-2-one
CID 142167724
ethane;(2E,4Z,6E)-2-fluoro-5-methylocta-2,4,6-triene
CID 144635902
(Z)-but-2-ene;ethane;(2Z,4Z)-3-methylhexa-2,4-diene
CID 142057667
3-methylhexa-1,3,5-trien-1-ol
CID 173388708
3,3-difluoroazetidine;4,4-difluoropiperidine;hydrochloride
CID 159412797

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoropyrrolidine;(3Z,5Z)-4-methylhepta-1,3,5-triene?
The IUPAC name of 3,3-difluoropyrrolidine;(3Z,5Z)-4-methylhepta-1,3,5-triene (CID 156749647) is 3,3-difluoropyrrolidine;(3Z,5Z)-4-methylhepta-1,3,5-triene.
What is the SMILES notation for 3,3-difluoropyrrolidine;(3Z,5Z)-4-methylhepta-1,3,5-triene?
The canonical SMILES for 3,3-difluoropyrrolidine;(3Z,5Z)-4-methylhepta-1,3,5-triene is C=C/C=C(C)\C=C/C.FC1(F)CCNC1.
What is the InChIKey of 3,3-difluoropyrrolidine;(3Z,5Z)-4-methylhepta-1,3,5-triene?
The InChIKey is QIZARHWXQZZSHJ-OVDGFJEXSA-N. The full InChI is InChI=1S/C8H12.C4H7F2N/c1-4-6-8(3)7-5-2;5-4(6)1-2-7-3-4/h4-7H,1H2,2-3H3;7H,1-3H2/b7-5-,8-6-;.
What are the key properties of 3,3-difluoropyrrolidine;(3Z,5Z)-4-methylhepta-1,3,5-triene?
3,3-difluoropyrrolidine;(3Z,5Z)-4-methylhepta-1,3,5-triene has a molecular weight of 215.29 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoropyrrolidine;(3Z,5Z)-4-methylhepta-1,3,5-triene is sourced from PubChem (CID 156749647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).