2-[(3,5-difluorophenyl)methyl]prop-2-enamide

C10H9F2NO — CID 174785178

IUPAC2-[(3,5-difluorophenyl)methyl]prop-2-enamide
SMILESC=C(Cc1cc(F)cc(F)c1)C(N)=O
InChIInChI=1S/C10H9F2NO/c1-6(10(13)14)2-7-3-8(11)5-9(12)4-7/h3-5H,1-2H2,(H2,13,14)
InChIKeyYQZSICVPEDKVMV-UHFFFAOYSA-N
MW197.18 g/mol
LogP1.55
Rot. Bonds3

About 2-[(3,5-difluorophenyl)methyl]prop-2-enamide

2-[(3,5-difluorophenyl)methyl]prop-2-enamide (PubChem CID 174785178) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methyl]prop-2-enamide
PubChem CID174785178
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Name2-[(3,5-difluorophenyl)methyl]prop-2-enamide
SMILESC=C(Cc1cc(F)cc(F)c1)C(N)=O
InChIInChI=1S/C10H9F2NO/c1-6(10(13)14)2-7-3-8(11)5-9(12)4-7/h3-5H,1-2H2,(H2,13,14)
InChIKeyYQZSICVPEDKVMV-UHFFFAOYSA-N
XLogP1.55
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(3,5-ditert-butyl-4-hydroxyphenyl)methyl]prop-2-enamide
CID 87833588
1-(3,5-difluorophenyl)-5-methylhex-5-en-2-one
CID 114473505
2-(2,4,6-trifluorophenyl)prop-2-enamide
CID 142441728
1-bromo-3-(3,5-difluorophenyl)propan-2-one
CID 53403276
1-(3,5-difluorophenyl)butan-2-one
CID 61496651
1-(4-aminophenyl)-3-(3,5-difluorophenyl)propan-2-one
CID 105411862
(3,5-difluorophenyl)methylurea
CID 112708056
1-(3,5-difluorophenyl)-3,3-dimethylbutan-2-one
CID 59128716
1-(3,5-difluorophenyl)-3-hydroxy-3-methylbutan-2-one
CID 103446142
1-(3,5-difluorophenyl)-3-phenylpropan-2-one
CID 61496724
1-(3-bromo-5-fluorophenyl)-3-methylbut-3-en-2-one
CID 103446397
N-[2-[2-(3,5-difluorophenyl)acetyl]hydrazinyl]methanethioamide
CID 141275823

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methyl]prop-2-enamide?
The IUPAC name of 2-[(3,5-difluorophenyl)methyl]prop-2-enamide (CID 174785178) is 2-[(3,5-difluorophenyl)methyl]prop-2-enamide.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methyl]prop-2-enamide?
The canonical SMILES for 2-[(3,5-difluorophenyl)methyl]prop-2-enamide is C=C(Cc1cc(F)cc(F)c1)C(N)=O.
What is the InChIKey of 2-[(3,5-difluorophenyl)methyl]prop-2-enamide?
The InChIKey is YQZSICVPEDKVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO/c1-6(10(13)14)2-7-3-8(11)5-9(12)4-7/h3-5H,1-2H2,(H2,13,14).
What are the key properties of 2-[(3,5-difluorophenyl)methyl]prop-2-enamide?
2-[(3,5-difluorophenyl)methyl]prop-2-enamide has a molecular weight of 197.18 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methyl]prop-2-enamide is sourced from PubChem (CID 174785178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).