(2E)-2-((18F)fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine

C11H13F2N — CID 59847625

IUPAC(2E)-2-((18F)fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine
SMILESNC/C(=C/[18F])CCc1ccc(F)cc1
InChIInChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+/i12-1
InChIKeyVXLBSYHAEKDUSU-NEPYJVGDSA-N
MW196.23 g/mol
LogP2.57
Rot. Bonds4

About (2E)-2-((18F)fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine

(2E)-2-((18F)fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine (PubChem CID 59847625) has the molecular formula C11H13F2N and a molecular weight of 196.23 g/mol. Its IUPAC name is (2E)-2-((18F)fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine.

Molecular Properties

Compound Name(2E)-2-((18F)fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine
PubChem CID59847625
Molecular FormulaC11H13F2N
Molecular Weight196.23 g/mol
Exact Mass196.10
IUPAC Name(2E)-2-((18F)fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine
SMILESNC/C(=C/[18F])CCc1ccc(F)cc1
InChIInChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+/i12-1
InChIKeyVXLBSYHAEKDUSU-NEPYJVGDSA-N
XLogP2.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2E)-2-((18F)fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-fluoro-2-[(4-fluorophenyl)methyl]prop-2-en-1-amine
CID 66982900
(Z)-3-fluoro-2-[(4-fluorophenyl)methyl]prop-2-en-1-amine
CID 25013780
(Z)-2-[(2,5-difluorophenyl)methyl]-3-fluoroprop-2-en-1-amine
CID 25013630
3-(4-fluorophenyl)-N'-hydroxypropanimidamide
CID 140529999
1-fluoro-4-(3-methylbut-3-enyl)benzene
CID 24721825
3-[4-(4-fluorophenyl)phenyl]propanamide
CID 150390429
3-fluoro-2-[(3-fluorophenyl)methyl]prop-2-en-1-amine;hydrochloride
CID 66983127
ethane;3-(4-fluorophenyl)propanoic acid
CID 142046245
2-(fluoromethylidene)pentan-1-amine
CID 159520813
6-(4-fluorophenyl)hexan-1-amine
CID 18470415
2-methylprop-2-enyl 3-(4-fluorophenyl)propanoate
CID 78833084
methyl 3-[4-(4-fluorophenyl)phenyl]propanoate
CID 67181950

Frequently Asked Questions

What is the IUPAC name of (2E)-2-((18F)fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine?
The IUPAC name of (2E)-2-((18F)fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine (CID 59847625) is (2E)-2-((18F)fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine.
What is the SMILES notation for (2E)-2-((18F)fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine?
The canonical SMILES for (2E)-2-((18F)fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine is NC/C(=C/[18F])CCc1ccc(F)cc1.
What is the InChIKey of (2E)-2-((18F)fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine?
The InChIKey is VXLBSYHAEKDUSU-NEPYJVGDSA-N. The full InChI is InChI=1S/C11H13F2N/c12-7-10(8-14)2-1-9-3-5-11(13)6-4-9/h3-7H,1-2,8,14H2/b10-7+/i12-1.
What are the key properties of (2E)-2-((18F)fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine?
(2E)-2-((18F)fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine has a molecular weight of 196.23 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-((18F)fluoromethylidene)-4-(4-fluorophenyl)butan-1-amine is sourced from PubChem (CID 59847625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).