(3Z,5Z)-6-amino-7,7-difluoro-2-methylideneocta-3,5-dienenitrile

C9H10F2N2 — CID 167231755

IUPAC(3Z,5Z)-6-amino-7,7-difluoro-2-methylideneocta-3,5-dienenitrile
SMILESC=C(C#N)/C=C\C=C(/N)C(C)(F)F
InChIInChI=1S/C9H10F2N2/c1-7(6-12)4-3-5-8(13)9(2,10)11/h3-5H,1,13H2,2H3/b4-3-,8-5-
InChIKeyVBLVLCHRXXTEGV-UBNNFMAXSA-N
MW184.19 g/mol
LogP2.12
Rot. Bonds3

About (3Z,5Z)-6-amino-7,7-difluoro-2-methylideneocta-3,5-dienenitrile

(3Z,5Z)-6-amino-7,7-difluoro-2-methylideneocta-3,5-dienenitrile (PubChem CID 167231755) has the molecular formula C9H10F2N2 and a molecular weight of 184.19 g/mol. Its IUPAC name is (3Z,5Z)-6-amino-7,7-difluoro-2-methylideneocta-3,5-dienenitrile.

Molecular Properties

Compound Name(3Z,5Z)-6-amino-7,7-difluoro-2-methylideneocta-3,5-dienenitrile
PubChem CID167231755
Molecular FormulaC9H10F2N2
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name(3Z,5Z)-6-amino-7,7-difluoro-2-methylideneocta-3,5-dienenitrile
SMILESC=C(C#N)/C=C\C=C(/N)C(C)(F)F
InChIInChI=1S/C9H10F2N2/c1-7(6-12)4-3-5-8(13)9(2,10)11/h3-5H,1,13H2,2H3/b4-3-,8-5-
InChIKeyVBLVLCHRXXTEGV-UBNNFMAXSA-N
XLogP2.12
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-6-amino-7,7-difluoro-2-methylideneocta-3,5-dienenitrile?
The IUPAC name of (3Z,5Z)-6-amino-7,7-difluoro-2-methylideneocta-3,5-dienenitrile (CID 167231755) is (3Z,5Z)-6-amino-7,7-difluoro-2-methylideneocta-3,5-dienenitrile.
What is the SMILES notation for (3Z,5Z)-6-amino-7,7-difluoro-2-methylideneocta-3,5-dienenitrile?
The canonical SMILES for (3Z,5Z)-6-amino-7,7-difluoro-2-methylideneocta-3,5-dienenitrile is C=C(C#N)/C=C\C=C(/N)C(C)(F)F.
What is the InChIKey of (3Z,5Z)-6-amino-7,7-difluoro-2-methylideneocta-3,5-dienenitrile?
The InChIKey is VBLVLCHRXXTEGV-UBNNFMAXSA-N. The full InChI is InChI=1S/C9H10F2N2/c1-7(6-12)4-3-5-8(13)9(2,10)11/h3-5H,1,13H2,2H3/b4-3-,8-5-.
What are the key properties of (3Z,5Z)-6-amino-7,7-difluoro-2-methylideneocta-3,5-dienenitrile?
(3Z,5Z)-6-amino-7,7-difluoro-2-methylideneocta-3,5-dienenitrile has a molecular weight of 184.19 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-6-amino-7,7-difluoro-2-methylideneocta-3,5-dienenitrile is sourced from PubChem (CID 167231755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).