(3R)-4-(4-fluorophenyl)-3-(methylamino)pent-4-en-2-one

C12H14FNO — CID 139541847

IUPAC(3R)-4-(4-fluorophenyl)-3-(methylamino)pent-4-en-2-one
SMILESC=C(c1ccc(F)cc1)[C@@H](NC)C(C)=O
InChIInChI=1S/C12H14FNO/c1-8(12(14-3)9(2)15)10-4-6-11(13)7-5-10/h4-7,12,14H,1H2,2-3H3/t12-/m1/s1
InChIKeyWTKRFPYCJDEHDP-GFCCVEGCSA-N
MW207.25 g/mol
LogP2.02
Rot. Bonds4

About (3R)-4-(4-fluorophenyl)-3-(methylamino)pent-4-en-2-one

(3R)-4-(4-fluorophenyl)-3-(methylamino)pent-4-en-2-one (PubChem CID 139541847) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is (3R)-4-(4-fluorophenyl)-3-(methylamino)pent-4-en-2-one.

Molecular Properties

Compound Name(3R)-4-(4-fluorophenyl)-3-(methylamino)pent-4-en-2-one
PubChem CID139541847
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name(3R)-4-(4-fluorophenyl)-3-(methylamino)pent-4-en-2-one
SMILESC=C(c1ccc(F)cc1)[C@@H](NC)C(C)=O
InChIInChI=1S/C12H14FNO/c1-8(12(14-3)9(2)15)10-4-6-11(13)7-5-10/h4-7,12,14H,1H2,2-3H3/t12-/m1/s1
InChIKeyWTKRFPYCJDEHDP-GFCCVEGCSA-N
XLogP2.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-4-(4-fluorophenyl)-3-(methylamino)pent-4-en-2-one 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

1-(4-fluorophenyl)ethanone;methanol
CID 160697688
ethyl 3-(4-fluorophenyl)-2-hydroxybut-3-enoate
CID 121013432
methyl (2R)-2-(4-fluorobenzoyl)-3-oxobutanoate
CID 98079477
1,9-bis(4-fluorophenyl)-2,8-bis(methylamino)nonane-1,9-dione
CID 68636214
1-fluoro-4-(3-methylpenta-1,4-dien-2-yl)benzene
CID 86259242
1-(4-fluorophenyl)-4-methylpent-4-en-1-one
CID 70328582
2-(4-fluoroanilino)-3-methylbut-3-enamide
CID 114784366
(2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one
CID 143361678
(E)-3-(4-fluorophenyl)-N-methylbut-2-enamide
CID 144683992
2-chloro-1-(4-fluorophenyl)butan-1-one
CID 15459067
4-fluoro-N-(propan-2-ylideneamino)benzamide
CID 847533
2-amino-1-(4-fluorophenyl)-3-methylbutan-1-one;hydrochloride
CID 174290426

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(4-fluorophenyl)-3-(methylamino)pent-4-en-2-one?
The IUPAC name of (3R)-4-(4-fluorophenyl)-3-(methylamino)pent-4-en-2-one (CID 139541847) is (3R)-4-(4-fluorophenyl)-3-(methylamino)pent-4-en-2-one.
What is the SMILES notation for (3R)-4-(4-fluorophenyl)-3-(methylamino)pent-4-en-2-one?
The canonical SMILES for (3R)-4-(4-fluorophenyl)-3-(methylamino)pent-4-en-2-one is C=C(c1ccc(F)cc1)[C@@H](NC)C(C)=O.
What is the InChIKey of (3R)-4-(4-fluorophenyl)-3-(methylamino)pent-4-en-2-one?
The InChIKey is WTKRFPYCJDEHDP-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14FNO/c1-8(12(14-3)9(2)15)10-4-6-11(13)7-5-10/h4-7,12,14H,1H2,2-3H3/t12-/m1/s1.
What are the key properties of (3R)-4-(4-fluorophenyl)-3-(methylamino)pent-4-en-2-one?
(3R)-4-(4-fluorophenyl)-3-(methylamino)pent-4-en-2-one has a molecular weight of 207.25 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(4-fluorophenyl)-3-(methylamino)pent-4-en-2-one is sourced from PubChem (CID 139541847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).