(Z)-4-amino-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride

C9H14F2N2 — CID 142233076

IUPAC(Z)-4-amino-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride
SMILESC/C(F)=C\N=C(F)\C=C/C(C)(C)N
InChIInChI=1S/C9H14F2N2/c1-7(10)6-13-8(11)4-5-9(2,3)12/h4-6H,12H2,1-3H3/b5-4-,7-6+,13-8-
InChIKeySJEQKWQREUCAOS-KYGFWMIZSA-N
MW188.22 g/mol
LogP2.48
Rot. Bonds3

About (Z)-4-amino-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride

(Z)-4-amino-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride (PubChem CID 142233076) has the molecular formula C9H14F2N2 and a molecular weight of 188.22 g/mol. Its IUPAC name is (Z)-4-amino-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride.

Molecular Properties

Compound Name(Z)-4-amino-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride
PubChem CID142233076
Molecular FormulaC9H14F2N2
Molecular Weight188.22 g/mol
Exact Mass188.11
IUPAC Name(Z)-4-amino-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride
SMILESC/C(F)=C\N=C(F)\C=C/C(C)(C)N
InChIInChI=1S/C9H14F2N2/c1-7(10)6-13-8(11)4-5-9(2,3)12/h4-6H,12H2,1-3H3/b5-4-,7-6+,13-8-
InChIKeySJEQKWQREUCAOS-KYGFWMIZSA-N
XLogP2.48
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 52.48
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

(E)-4-[[(Z)-1,1,1-trifluoropent-3-en-2-ylidene]amino]but-3-en-2-amine
CID 91527004
(E)-4-amino-2-chloro-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride
CID 142233077
3-fluoro-N,4-dimethylazepin-4-amine
CID 146416574
(Z)-N-[(E)-2-fluoroethenyl]-4-methyl-4-(methylamino)pent-2-enimidoyl fluoride
CID 154539060
(1Z,4E)-1-[[(Z)-but-2-enylidene]amino]-3-methylhexa-1,4-dien-3-amine
CID 143571683

Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride?
The IUPAC name of (Z)-4-amino-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride (CID 142233076) is (Z)-4-amino-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride.
What is the SMILES notation for (Z)-4-amino-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride?
The canonical SMILES for (Z)-4-amino-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride is C/C(F)=C\N=C(F)\C=C/C(C)(C)N.
What is the InChIKey of (Z)-4-amino-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride?
The InChIKey is SJEQKWQREUCAOS-KYGFWMIZSA-N. The full InChI is InChI=1S/C9H14F2N2/c1-7(10)6-13-8(11)4-5-9(2,3)12/h4-6H,12H2,1-3H3/b5-4-,7-6+,13-8-.
What are the key properties of (Z)-4-amino-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride?
(Z)-4-amino-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride has a molecular weight of 188.22 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-N-[(E)-2-fluoroprop-1-enyl]-4-methylpent-2-enimidoyl fluoride is sourced from PubChem (CID 142233076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).