4-[3-fluoro-5-(hydroxymethyl)phenyl]but-3-enamide

C11H12FNO2 — CID 170797801

IUPAC4-[3-fluoro-5-(hydroxymethyl)phenyl]but-3-enamide
SMILESNC(=O)CC=Cc1cc(F)cc(CO)c1
InChIInChI=1S/C11H12FNO2/c12-10-5-8(2-1-3-11(13)15)4-9(6-10)7-14/h1-2,4-6,14H,3,7H2,(H2,13,15)
InChIKeyVXNUUUONGPWCJR-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.21
Rot. Bonds4

About 4-[3-fluoro-5-(hydroxymethyl)phenyl]but-3-enamide

4-[3-fluoro-5-(hydroxymethyl)phenyl]but-3-enamide (PubChem CID 170797801) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 4-[3-fluoro-5-(hydroxymethyl)phenyl]but-3-enamide.

Molecular Properties

Compound Name4-[3-fluoro-5-(hydroxymethyl)phenyl]but-3-enamide
PubChem CID170797801
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name4-[3-fluoro-5-(hydroxymethyl)phenyl]but-3-enamide
SMILESNC(=O)CC=Cc1cc(F)cc(CO)c1
InChIInChI=1S/C11H12FNO2/c12-10-5-8(2-1-3-11(13)15)4-9(6-10)7-14/h1-2,4-6,14H,3,7H2,(H2,13,15)
InChIKeyVXNUUUONGPWCJR-UHFFFAOYSA-N
XLogP1.21
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-4-(4-fluorophenyl)but-3-enamide
CID 101344371
4-(3,5-dichloro-4-fluorophenyl)but-3-enamide
CID 170797705
[3-(4-bromobut-1-enyl)-5-fluorophenyl]methanol
CID 170497350
4-(3,5-dimethylphenyl)but-3-enamide
CID 170797430
4-(2,6-dichloro-4-pyridinyl)but-3-enamide
CID 170798983
tert-butyl N-[3-[3-fluoro-5-(hydroxymethyl)phenyl]prop-2-enyl]carbamate
CID 169467398
4-(3,5-difluoro-4-nitrophenyl)but-3-enamide
CID 170798572
4-[5-(hydroxymethyl)thiophen-3-yl]but-3-enamide
CID 170797314
4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]but-3-enamide
CID 170797876
(E)-3-(3,5-difluorophenyl)prop-2-en-1-ol
CID 27282124
2-[5-(4-amino-4-oxobut-1-enyl)-2-fluorophenyl]acetic acid
CID 170798417
4-[3-fluoro-4-(trifluoromethyl)phenyl]but-3-enamide
CID 170798409

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-5-(hydroxymethyl)phenyl]but-3-enamide?
The IUPAC name of 4-[3-fluoro-5-(hydroxymethyl)phenyl]but-3-enamide (CID 170797801) is 4-[3-fluoro-5-(hydroxymethyl)phenyl]but-3-enamide.
What is the SMILES notation for 4-[3-fluoro-5-(hydroxymethyl)phenyl]but-3-enamide?
The canonical SMILES for 4-[3-fluoro-5-(hydroxymethyl)phenyl]but-3-enamide is NC(=O)CC=Cc1cc(F)cc(CO)c1.
What is the InChIKey of 4-[3-fluoro-5-(hydroxymethyl)phenyl]but-3-enamide?
The InChIKey is VXNUUUONGPWCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-10-5-8(2-1-3-11(13)15)4-9(6-10)7-14/h1-2,4-6,14H,3,7H2,(H2,13,15).
What are the key properties of 4-[3-fluoro-5-(hydroxymethyl)phenyl]but-3-enamide?
4-[3-fluoro-5-(hydroxymethyl)phenyl]but-3-enamide has a molecular weight of 209.22 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-fluoro-5-(hydroxymethyl)phenyl]but-3-enamide is sourced from PubChem (CID 170797801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).