(Z)-3,3-difluoro-2-[[(3Z)-hexa-3,5-dien-2-ylidene]amino]prop-1-en-1-amine

C9H12F2N2 — CID 164558396

IUPAC(Z)-3,3-difluoro-2-[[(3Z)-hexa-3,5-dien-2-ylidene]amino]prop-1-en-1-amine
SMILESC=C/C=C\C(C)=N\C(=C/N)C(F)F
InChIInChI=1S/C9H12F2N2/c1-3-4-5-7(2)13-8(6-12)9(10)11/h3-6,9H,1,12H2,2H3/b5-4-,8-6-,13-7+
InChIKeyBSGQCWDEWSKTEI-YXNIMZESSA-N
MW186.21 g/mol
LogP2.25
Rot. Bonds4

About (Z)-3,3-difluoro-2-[[(3Z)-hexa-3,5-dien-2-ylidene]amino]prop-1-en-1-amine

(Z)-3,3-difluoro-2-[[(3Z)-hexa-3,5-dien-2-ylidene]amino]prop-1-en-1-amine (PubChem CID 164558396) has the molecular formula C9H12F2N2 and a molecular weight of 186.21 g/mol. Its IUPAC name is (Z)-3,3-difluoro-2-[[(3Z)-hexa-3,5-dien-2-ylidene]amino]prop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3,3-difluoro-2-[[(3Z)-hexa-3,5-dien-2-ylidene]amino]prop-1-en-1-amine
PubChem CID164558396
Molecular FormulaC9H12F2N2
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Name(Z)-3,3-difluoro-2-[[(3Z)-hexa-3,5-dien-2-ylidene]amino]prop-1-en-1-amine
SMILESC=C/C=C\C(C)=N\C(=C/N)C(F)F
InChIInChI=1S/C9H12F2N2/c1-3-4-5-7(2)13-8(6-12)9(10)11/h3-6,9H,1,12H2,2H3/b5-4-,8-6-,13-7+
InChIKeyBSGQCWDEWSKTEI-YXNIMZESSA-N
XLogP2.25
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-4-[[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-3-en-2-amine
CID 91527004
(Z)-4,4,4-trifluoro-3-[(Z)-pent-2-en-3-yl]iminobut-1-en-1-amine
CID 126672163
2-[(Z)-4,4-difluorobut-1-enyl]iminobut-3-en-1-amine
CID 132157969
(3Z)-N-ethenyl-1,1,1-trifluorohexa-3,5-dien-2-imine
CID 134532241
(Z)-1,1,1-trifluoro-4-prop-1-en-2-yliminopent-2-en-2-amine
CID 137401028
(Z)-4,4,4-trifluoro-3-prop-1-en-2-yliminobut-1-en-1-amine
CID 138628399
(3Z,5E)-5-fluoro-N-[(Z)-prop-1-enyl]hepta-3,5-dien-2-imine
CID 144296874
(3E)-2-methylimino-4-(trifluoromethyl)hexa-3,5-dien-1-amine
CID 144992804
(3E)-6,6-difluoro-5-methyliminohexa-1,3-dien-3-amine
CID 145084196
(3E)-6,6,6-trifluoro-5-methyliminohexa-1,3-dien-3-amine
CID 145297824
1-(1,3-dihydropyrrol-3-id-2-yl)-2,2,2-trifluoro-N-propan-2-ylethanimine;manganese(2+)
CID 152751871
2-[(Z)-1,1,1-trifluoropent-2-en-2-yl]iminopropan-1-amine
CID 154985899

Frequently Asked Questions

What is the IUPAC name of (Z)-3,3-difluoro-2-[[(3Z)-hexa-3,5-dien-2-ylidene]amino]prop-1-en-1-amine?
The IUPAC name of (Z)-3,3-difluoro-2-[[(3Z)-hexa-3,5-dien-2-ylidene]amino]prop-1-en-1-amine (CID 164558396) is (Z)-3,3-difluoro-2-[[(3Z)-hexa-3,5-dien-2-ylidene]amino]prop-1-en-1-amine.
What is the SMILES notation for (Z)-3,3-difluoro-2-[[(3Z)-hexa-3,5-dien-2-ylidene]amino]prop-1-en-1-amine?
The canonical SMILES for (Z)-3,3-difluoro-2-[[(3Z)-hexa-3,5-dien-2-ylidene]amino]prop-1-en-1-amine is C=C/C=C\C(C)=N\C(=C/N)C(F)F.
What is the InChIKey of (Z)-3,3-difluoro-2-[[(3Z)-hexa-3,5-dien-2-ylidene]amino]prop-1-en-1-amine?
The InChIKey is BSGQCWDEWSKTEI-YXNIMZESSA-N. The full InChI is InChI=1S/C9H12F2N2/c1-3-4-5-7(2)13-8(6-12)9(10)11/h3-6,9H,1,12H2,2H3/b5-4-,8-6-,13-7+.
What are the key properties of (Z)-3,3-difluoro-2-[[(3Z)-hexa-3,5-dien-2-ylidene]amino]prop-1-en-1-amine?
(Z)-3,3-difluoro-2-[[(3Z)-hexa-3,5-dien-2-ylidene]amino]prop-1-en-1-amine has a molecular weight of 186.21 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3,3-difluoro-2-[[(3Z)-hexa-3,5-dien-2-ylidene]amino]prop-1-en-1-amine is sourced from PubChem (CID 164558396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).