(E)-4-(2,4-difluorophenyl)-N-methylbut-3-en-2-amine

C11H13F2N — CID 54775722

IUPAC(E)-4-(2,4-difluorophenyl)-N-methylbut-3-en-2-amine
SMILESCNC(C)/C=C/c1ccc(F)cc1F
InChIInChI=1S/C11H13F2N/c1-8(14-2)3-4-9-5-6-10(12)7-11(9)13/h3-8,14H,1-2H3/b4-3+
InChIKeyQVRNMULLXFCZJL-ONEGZZNKSA-N
MW197.23 g/mol
LogP2.59
Rot. Bonds3

About (E)-4-(2,4-difluorophenyl)-N-methylbut-3-en-2-amine

(E)-4-(2,4-difluorophenyl)-N-methylbut-3-en-2-amine (PubChem CID 54775722) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is (E)-4-(2,4-difluorophenyl)-N-methylbut-3-en-2-amine.

Molecular Properties

Compound Name(E)-4-(2,4-difluorophenyl)-N-methylbut-3-en-2-amine
PubChem CID54775722
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name(E)-4-(2,4-difluorophenyl)-N-methylbut-3-en-2-amine
SMILESCNC(C)/C=C/c1ccc(F)cc1F
InChIInChI=1S/C11H13F2N/c1-8(14-2)3-4-9-5-6-10(12)7-11(9)13/h3-8,14H,1-2H3/b4-3+
InChIKeyQVRNMULLXFCZJL-ONEGZZNKSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-4-(2,5-difluorophenyl)-N-methylbut-3-en-2-amine
CID 103092190
(E)-N-methyl-4-(3,4,5-trifluorophenyl)but-3-en-2-amine
CID 103092004
2-[(2,4-difluorophenyl)methylidene]-N,3-dimethylbutan-1-amine
CID 79339685
(E)-4-(2-bromo-4-methylphenyl)-N-methylbut-3-en-2-amine
CID 103092055
1-[(E)-2-bromoethenyl]-2,4-difluorobenzene
CID 165468200
(E)-4-(4-bromo-2-fluorophenyl)-N-ethylbut-3-en-2-amine
CID 103092280
(E)-4-(3-chloro-4-fluorophenyl)-N-methylbut-3-en-2-amine
CID 103092177
5-[2-(2,4-difluorophenyl)ethenyl]-2-propan-2-ylbenzene-1,3-diol
CID 66843192
1-[3-(4-chlorophenyl)-3-[(Z)-1-(4-chlorophenyl)-3-(2,4-difluorophenyl)prop-2-enyl]sulfanylprop-1-enyl]-2,4-difluorobenzene
CID 87921084
1-[(1E)-buta-1,3-dienyl]-2,4-difluorobenzene
CID 178070842
3-(2,4-difluorophenyl)prop-2-enal
CID 2763109
2,4-difluoro-1-(2-methylsulfinylethenyl)benzene
CID 67288123

Frequently Asked Questions

What is the IUPAC name of (E)-4-(2,4-difluorophenyl)-N-methylbut-3-en-2-amine?
The IUPAC name of (E)-4-(2,4-difluorophenyl)-N-methylbut-3-en-2-amine (CID 54775722) is (E)-4-(2,4-difluorophenyl)-N-methylbut-3-en-2-amine.
What is the SMILES notation for (E)-4-(2,4-difluorophenyl)-N-methylbut-3-en-2-amine?
The canonical SMILES for (E)-4-(2,4-difluorophenyl)-N-methylbut-3-en-2-amine is CNC(C)/C=C/c1ccc(F)cc1F.
What is the InChIKey of (E)-4-(2,4-difluorophenyl)-N-methylbut-3-en-2-amine?
The InChIKey is QVRNMULLXFCZJL-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H13F2N/c1-8(14-2)3-4-9-5-6-10(12)7-11(9)13/h3-8,14H,1-2H3/b4-3+.
What are the key properties of (E)-4-(2,4-difluorophenyl)-N-methylbut-3-en-2-amine?
(E)-4-(2,4-difluorophenyl)-N-methylbut-3-en-2-amine has a molecular weight of 197.23 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(2,4-difluorophenyl)-N-methylbut-3-en-2-amine is sourced from PubChem (CID 54775722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).