6,6-difluoro-5-methylidene-3-[(Z)-prop-1-enyl]oct-1-en-2-amine;propane

C15H27F2N — CID 145030852

IUPAC6,6-difluoro-5-methylidene-3-[(Z)-prop-1-enyl]oct-1-en-2-amine;propane
SMILESC=C(N)C(/C=C\C)CC(=C)C(F)(F)CC.CCC
InChIInChI=1S/C12H19F2N.C3H8/c1-5-7-11(10(4)15)8-9(3)12(13,14)6-2;1-3-2/h5,7,11H,3-4,6,8,15H2,1-2H3;3H2,1-2H3/b7-5-;
InChIKeyJRZGJOGNSZNXLF-YJOCEBFMSA-N
MW259.38 g/mol
LogP5.06
Rot. Bonds6

About 6,6-difluoro-5-methylidene-3-[(Z)-prop-1-enyl]oct-1-en-2-amine;propane

6,6-difluoro-5-methylidene-3-[(Z)-prop-1-enyl]oct-1-en-2-amine;propane (PubChem CID 145030852) has the molecular formula C15H27F2N and a molecular weight of 259.38 g/mol. Its IUPAC name is 6,6-difluoro-5-methylidene-3-[(Z)-prop-1-enyl]oct-1-en-2-amine;propane.

Molecular Properties

Compound Name6,6-difluoro-5-methylidene-3-[(Z)-prop-1-enyl]oct-1-en-2-amine;propane
PubChem CID145030852
Molecular FormulaC15H27F2N
Molecular Weight259.38 g/mol
Exact Mass259.21
IUPAC Name6,6-difluoro-5-methylidene-3-[(Z)-prop-1-enyl]oct-1-en-2-amine;propane
SMILESC=C(N)C(/C=C\C)CC(=C)C(F)(F)CC.CCC
InChIInChI=1S/C12H19F2N.C3H8/c1-5-7-11(10(4)15)8-9(3)12(13,14)6-2;1-3-2/h5,7,11H,3-4,6,8,15H2,1-2H3;3H2,1-2H3/b7-5-;
InChIKeyJRZGJOGNSZNXLF-YJOCEBFMSA-N
XLogP5.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.38
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-Methyl-6-(trifluoromethyl)cyclohexen-1-amine
CID 89038480
4-[(1S,4S)-4-(1,1-difluoroethyl)cyclohex-2-en-1-yl]but-1-en-2-amine
CID 118311879
(1E,5S)-4-methyl-5-(trifluoromethyl)cycloocten-1-amine
CID 126592411
3-[5-(2,2-Difluoroethyl)-1-methylcyclohexa-2,4-dien-1-yl]prop-1-en-2-amine
CID 131977013
(5Z)-3-(2,2-difluoropropyl)-4-methylocta-1,5,7-trien-2-amine
CID 131995515
5-(1,1-Difluoroethyl)-3-fluorocyclohexen-1-amine
CID 134409095
4,4-Difluoro-2-propan-2-ylcyclopenten-1-amine
CID 135197701
(3E,5E)-6-(1,1-difluoroethyl)-9-methyl-7-methylidenedeca-3,5-dien-3-amine
CID 138527474
1-(4,4-Difluorocyclohexyl)prop-1-en-1-amine;ethane
CID 143704763
(1E,3E)-4-(1,1-difluoroethyl)-6-methylcycloocta-1,3-dien-1-amine
CID 146245333
(3Z,5E)-10,10-difluoro-6,8-dimethylundeca-1,3,5-trien-3-amine
CID 146537629
(2E,6E,9R)-4,9-dimethyl-8-(trifluoromethyl)undeca-2,6-dien-3-amine
CID 155471437

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-5-methylidene-3-[(Z)-prop-1-enyl]oct-1-en-2-amine;propane?
The IUPAC name of 6,6-difluoro-5-methylidene-3-[(Z)-prop-1-enyl]oct-1-en-2-amine;propane (CID 145030852) is 6,6-difluoro-5-methylidene-3-[(Z)-prop-1-enyl]oct-1-en-2-amine;propane.
What is the SMILES notation for 6,6-difluoro-5-methylidene-3-[(Z)-prop-1-enyl]oct-1-en-2-amine;propane?
The canonical SMILES for 6,6-difluoro-5-methylidene-3-[(Z)-prop-1-enyl]oct-1-en-2-amine;propane is C=C(N)C(/C=C\C)CC(=C)C(F)(F)CC.CCC.
What is the InChIKey of 6,6-difluoro-5-methylidene-3-[(Z)-prop-1-enyl]oct-1-en-2-amine;propane?
The InChIKey is JRZGJOGNSZNXLF-YJOCEBFMSA-N. The full InChI is InChI=1S/C12H19F2N.C3H8/c1-5-7-11(10(4)15)8-9(3)12(13,14)6-2;1-3-2/h5,7,11H,3-4,6,8,15H2,1-2H3;3H2,1-2H3/b7-5-;.
What are the key properties of 6,6-difluoro-5-methylidene-3-[(Z)-prop-1-enyl]oct-1-en-2-amine;propane?
6,6-difluoro-5-methylidene-3-[(Z)-prop-1-enyl]oct-1-en-2-amine;propane has a molecular weight of 259.38 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-5-methylidene-3-[(Z)-prop-1-enyl]oct-1-en-2-amine;propane is sourced from PubChem (CID 145030852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).