(Z)-1,1,1-trifluoro-4-prop-1-en-2-yliminopent-2-en-2-amine

C8H11F3N2 — CID 137401028

IUPAC(Z)-1,1,1-trifluoro-4-prop-1-en-2-yliminopent-2-en-2-amine
SMILESC=C(C)/N=C(C)/C=C(\N)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-5(2)13-6(3)4-7(12)8(9,10)11/h4H,1,12H2,2-3H3/b7-4-,13-6+
InChIKeyVGGQPZWDQRJZLY-CTIXMVKPSA-N
MW192.18 g/mol
LogP2.39
Rot. Bonds2

About (Z)-1,1,1-trifluoro-4-prop-1-en-2-yliminopent-2-en-2-amine

(Z)-1,1,1-trifluoro-4-prop-1-en-2-yliminopent-2-en-2-amine (PubChem CID 137401028) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is (Z)-1,1,1-trifluoro-4-prop-1-en-2-yliminopent-2-en-2-amine.

Molecular Properties

Compound Name(Z)-1,1,1-trifluoro-4-prop-1-en-2-yliminopent-2-en-2-amine
PubChem CID137401028
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name(Z)-1,1,1-trifluoro-4-prop-1-en-2-yliminopent-2-en-2-amine
SMILESC=C(C)/N=C(C)/C=C(\N)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-5(2)13-6(3)4-7(12)8(9,10)11/h4H,1,12H2,2-3H3/b7-4-,13-6+
InChIKeyVGGQPZWDQRJZLY-CTIXMVKPSA-N
XLogP2.39
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-Trifluoro-2-amino-4-(isobutylimino)pent-2-ene
CID 129807353
carbanide;copper;[(Z)-1,1,1,5,5,5-hexafluoro-4-iminopent-2-en-2-yl]azanide
CID 59010565
(Z)-5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 59782155
5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 72560383
Copper;4-iminopent-2-en-2-amine;3,3,3-trifluoroprop-1-ene
CID 87979812
(Z)-1,5-difluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 88984410
(E)-3-fluoro-N-prop-1-en-2-ylpent-3-en-2-imine
CID 117805296
(Z)-1,1,5,5-tetrafluoro-4-methyliminopent-2-en-2-amine
CID 118408959
(Z)-5,5,5-trifluoro-4-N-propylidenepent-3-ene-2,4-diimine
CID 123539659
(Z)-4,4,4-trifluoro-3-[(Z)-pent-2-en-3-yl]iminobut-1-en-1-amine
CID 126672163
(E)-5,5-difluoro-4-iminohex-2-en-2-amine
CID 126727631
(Z)-N-(3,3,3-trifluoroprop-1-en-2-yl)pent-3-en-2-imine
CID 131996217

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1-trifluoro-4-prop-1-en-2-yliminopent-2-en-2-amine?
The IUPAC name of (Z)-1,1,1-trifluoro-4-prop-1-en-2-yliminopent-2-en-2-amine (CID 137401028) is (Z)-1,1,1-trifluoro-4-prop-1-en-2-yliminopent-2-en-2-amine.
What is the SMILES notation for (Z)-1,1,1-trifluoro-4-prop-1-en-2-yliminopent-2-en-2-amine?
The canonical SMILES for (Z)-1,1,1-trifluoro-4-prop-1-en-2-yliminopent-2-en-2-amine is C=C(C)/N=C(C)/C=C(\N)C(F)(F)F.
What is the InChIKey of (Z)-1,1,1-trifluoro-4-prop-1-en-2-yliminopent-2-en-2-amine?
The InChIKey is VGGQPZWDQRJZLY-CTIXMVKPSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-5(2)13-6(3)4-7(12)8(9,10)11/h4H,1,12H2,2-3H3/b7-4-,13-6+.
What are the key properties of (Z)-1,1,1-trifluoro-4-prop-1-en-2-yliminopent-2-en-2-amine?
(Z)-1,1,1-trifluoro-4-prop-1-en-2-yliminopent-2-en-2-amine has a molecular weight of 192.18 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1-trifluoro-4-prop-1-en-2-yliminopent-2-en-2-amine is sourced from PubChem (CID 137401028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).