(Z)-4-(2-fluorophenyl)imino-3-methylbut-2-en-2-amine

C11H13FN2 — CID 178061166

IUPAC(Z)-4-(2-fluorophenyl)imino-3-methylbut-2-en-2-amine
SMILESC/C(N)=C(C)/C=N/c1ccccc1F
InChIInChI=1S/C11H13FN2/c1-8(9(2)13)7-14-11-6-4-3-5-10(11)12/h3-7H,13H2,1-2H3/b9-8-,14-7+
InChIKeyDAWHSAOIKBYQSE-GBYAIJDDSA-N
MW192.24 g/mol
LogP2.78
Rot. Bonds2

About (Z)-4-(2-fluorophenyl)imino-3-methylbut-2-en-2-amine

(Z)-4-(2-fluorophenyl)imino-3-methylbut-2-en-2-amine (PubChem CID 178061166) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is (Z)-4-(2-fluorophenyl)imino-3-methylbut-2-en-2-amine.

Molecular Properties

Compound Name(Z)-4-(2-fluorophenyl)imino-3-methylbut-2-en-2-amine
PubChem CID178061166
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name(Z)-4-(2-fluorophenyl)imino-3-methylbut-2-en-2-amine
SMILESC/C(N)=C(C)/C=N/c1ccccc1F
InChIInChI=1S/C11H13FN2/c1-8(9(2)13)7-14-11-6-4-3-5-10(11)12/h3-7H,13H2,1-2H3/b9-8-,14-7+
InChIKeyDAWHSAOIKBYQSE-GBYAIJDDSA-N
XLogP2.78
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.78
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

N-(2-fluorophenyl)-1-(4-fluorophenyl)methanimine
CID 23329235
(3S)-3-amino-3-(2-fluorophenyl)butan-2-one
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ethyl 2-[(2-fluorophenyl)iminomethyl]-3-oxohexanoate
CID 54247660
methyl (E)-3-hydroxy-2-[[2-[[(E)-3-hydroxy-2-methoxycarbonylbut-2-enylidene]amino]phenyl]iminomethyl]but-2-enoate
CID 177470894
1,1,1-trifluoro-3-[(2-fluorophenyl)iminomethyl]-4-hydroxy-4-(4-methoxyphenyl)but-3-en-2-one
CID 135496700
2-(2-aminophenyl)iminoacetic acid
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(Z)-1-(2-fluorophenyl)prop-1-en-1-amine
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(2E)-1-(2-fluorophenyl)-3-methylpenta-2,4-dien-2-amine
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acetic acid;1-fluoro-2-methylbenzene;guanidine
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CID 135543737

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2-fluorophenyl)imino-3-methylbut-2-en-2-amine?
The IUPAC name of (Z)-4-(2-fluorophenyl)imino-3-methylbut-2-en-2-amine (CID 178061166) is (Z)-4-(2-fluorophenyl)imino-3-methylbut-2-en-2-amine.
What is the SMILES notation for (Z)-4-(2-fluorophenyl)imino-3-methylbut-2-en-2-amine?
The canonical SMILES for (Z)-4-(2-fluorophenyl)imino-3-methylbut-2-en-2-amine is C/C(N)=C(C)/C=N/c1ccccc1F.
What is the InChIKey of (Z)-4-(2-fluorophenyl)imino-3-methylbut-2-en-2-amine?
The InChIKey is DAWHSAOIKBYQSE-GBYAIJDDSA-N. The full InChI is InChI=1S/C11H13FN2/c1-8(9(2)13)7-14-11-6-4-3-5-10(11)12/h3-7H,13H2,1-2H3/b9-8-,14-7+.
What are the key properties of (Z)-4-(2-fluorophenyl)imino-3-methylbut-2-en-2-amine?
(Z)-4-(2-fluorophenyl)imino-3-methylbut-2-en-2-amine has a molecular weight of 192.24 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2-fluorophenyl)imino-3-methylbut-2-en-2-amine is sourced from PubChem (CID 178061166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).