4-[[(Z)-3-anilinobut-1-enyl]amino]-2,2-difluoropentan-3-one

C15H20F2N2O — CID 142508471

IUPAC4-[[(Z)-3-anilinobut-1-enyl]amino]-2,2-difluoropentan-3-one
SMILESCC(/C=C\NC(C)C(=O)C(C)(F)F)Nc1ccccc1
InChIInChI=1S/C15H20F2N2O/c1-11(19-13-7-5-4-6-8-13)9-10-18-12(2)14(20)15(3,16)17/h4-12,18-19H,1-3H3/b10-9-
InChIKeyHIGMEEGLZZHPTO-KTKRTIGZSA-N
MW282.33 g/mol
LogP3.20
Rot. Bonds7

About 4-[[(Z)-3-anilinobut-1-enyl]amino]-2,2-difluoropentan-3-one

4-[[(Z)-3-anilinobut-1-enyl]amino]-2,2-difluoropentan-3-one (PubChem CID 142508471) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is 4-[[(Z)-3-anilinobut-1-enyl]amino]-2,2-difluoropentan-3-one.

Molecular Properties

Compound Name4-[[(Z)-3-anilinobut-1-enyl]amino]-2,2-difluoropentan-3-one
PubChem CID142508471
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name4-[[(Z)-3-anilinobut-1-enyl]amino]-2,2-difluoropentan-3-one
SMILESCC(/C=C\NC(C)C(=O)C(C)(F)F)Nc1ccccc1
InChIInChI=1S/C15H20F2N2O/c1-11(19-13-7-5-4-6-8-13)9-10-18-12(2)14(20)15(3,16)17/h4-12,18-19H,1-3H3/b10-9-
InChIKeyHIGMEEGLZZHPTO-KTKRTIGZSA-N
XLogP3.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-anilino-N-tert-butylpropanamide
CID 28840351
acetaldehyde;2-anilinopropanoyl chloride
CID 174623203
2-anilinopropanoic acid;hydrochloride
CID 19096756
(2R)-2-anilinopropanoate
CID 6946450
2-anilinopropanoate
CID 19754798
(2S)-2-anilinopropanethioic S-acid
CID 87999378
N-[(E)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)but-3-en-2-yl]aniline
CID 135053485
N-[(2R)-1,1,1-trifluoropropan-2-yl]aniline
CID 170589849
methyl 2-anilinopropanoate
CID 3417283
2-anilino-1-phenylpropan-1-one
CID 577481
N-[(E)-4-[dichloro(ethyl)silyl]but-3-en-2-yl]aniline
CID 13027464
2-anilino-N-prop-2-ynylpropanamide
CID 43112793

Frequently Asked Questions

What is the IUPAC name of 4-[[(Z)-3-anilinobut-1-enyl]amino]-2,2-difluoropentan-3-one?
The IUPAC name of 4-[[(Z)-3-anilinobut-1-enyl]amino]-2,2-difluoropentan-3-one (CID 142508471) is 4-[[(Z)-3-anilinobut-1-enyl]amino]-2,2-difluoropentan-3-one.
What is the SMILES notation for 4-[[(Z)-3-anilinobut-1-enyl]amino]-2,2-difluoropentan-3-one?
The canonical SMILES for 4-[[(Z)-3-anilinobut-1-enyl]amino]-2,2-difluoropentan-3-one is CC(/C=C\NC(C)C(=O)C(C)(F)F)Nc1ccccc1.
What is the InChIKey of 4-[[(Z)-3-anilinobut-1-enyl]amino]-2,2-difluoropentan-3-one?
The InChIKey is HIGMEEGLZZHPTO-KTKRTIGZSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-11(19-13-7-5-4-6-8-13)9-10-18-12(2)14(20)15(3,16)17/h4-12,18-19H,1-3H3/b10-9-.
What are the key properties of 4-[[(Z)-3-anilinobut-1-enyl]amino]-2,2-difluoropentan-3-one?
4-[[(Z)-3-anilinobut-1-enyl]amino]-2,2-difluoropentan-3-one has a molecular weight of 282.33 g/mol, XLogP of 3.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(Z)-3-anilinobut-1-enyl]amino]-2,2-difluoropentan-3-one is sourced from PubChem (CID 142508471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).