[4-(1,1-difluoro-2-oxopropyl)phenyl]methylcarbamic acid

C11H11F2NO3 — CID 134309125

IUPAC[4-(1,1-difluoro-2-oxopropyl)phenyl]methylcarbamic acid
SMILESCC(=O)C(F)(F)c1ccc(CNC(=O)O)cc1
InChIInChI=1S/C11H11F2NO3/c1-7(15)11(12,13)9-4-2-8(3-5-9)6-14-10(16)17/h2-5,14H,6H2,1H3,(H,16,17)
InChIKeyUIKZNJYBTXXULM-UHFFFAOYSA-N
MW243.21 g/mol
LogP2.13
Rot. Bonds4

About [4-(1,1-difluoro-2-oxopropyl)phenyl]methylcarbamic acid

[4-(1,1-difluoro-2-oxopropyl)phenyl]methylcarbamic acid (PubChem CID 134309125) has the molecular formula C11H11F2NO3 and a molecular weight of 243.21 g/mol. Its IUPAC name is [4-(1,1-difluoro-2-oxopropyl)phenyl]methylcarbamic acid.

Molecular Properties

Compound Name[4-(1,1-difluoro-2-oxopropyl)phenyl]methylcarbamic acid
PubChem CID134309125
Molecular FormulaC11H11F2NO3
Molecular Weight243.21 g/mol
Exact Mass243.07
IUPAC Name[4-(1,1-difluoro-2-oxopropyl)phenyl]methylcarbamic acid
SMILESCC(=O)C(F)(F)c1ccc(CNC(=O)O)cc1
InChIInChI=1S/C11H11F2NO3/c1-7(15)11(12,13)9-4-2-8(3-5-9)6-14-10(16)17/h2-5,14H,6H2,1H3,(H,16,17)
InChIKeyUIKZNJYBTXXULM-UHFFFAOYSA-N
XLogP2.13
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]methylcarbamic acid
CID 170166362
[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]methylcarbamic acid
CID 170166266
ethane;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 144998983
1,1-difluoro-1-(4-fluorophenyl)propan-2-one
CID 83854791
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
[4-(hydroxycarbamoyl)phenyl]methylcarbamic acid
CID 87544855
2-(2-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 25402863
2-acetamido-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 143901871
2-(4-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 27052812
2,2-dimethyl-3-oxo-3-[[4-(trifluoromethyl)phenyl]methylamino]propanoic acid
CID 82821771
2-methylpyridine;N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 162170581
2-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 102432449

Frequently Asked Questions

What is the IUPAC name of [4-(1,1-difluoro-2-oxopropyl)phenyl]methylcarbamic acid?
The IUPAC name of [4-(1,1-difluoro-2-oxopropyl)phenyl]methylcarbamic acid (CID 134309125) is [4-(1,1-difluoro-2-oxopropyl)phenyl]methylcarbamic acid.
What is the SMILES notation for [4-(1,1-difluoro-2-oxopropyl)phenyl]methylcarbamic acid?
The canonical SMILES for [4-(1,1-difluoro-2-oxopropyl)phenyl]methylcarbamic acid is CC(=O)C(F)(F)c1ccc(CNC(=O)O)cc1.
What is the InChIKey of [4-(1,1-difluoro-2-oxopropyl)phenyl]methylcarbamic acid?
The InChIKey is UIKZNJYBTXXULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO3/c1-7(15)11(12,13)9-4-2-8(3-5-9)6-14-10(16)17/h2-5,14H,6H2,1H3,(H,16,17).
What are the key properties of [4-(1,1-difluoro-2-oxopropyl)phenyl]methylcarbamic acid?
[4-(1,1-difluoro-2-oxopropyl)phenyl]methylcarbamic acid has a molecular weight of 243.21 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,1-difluoro-2-oxopropyl)phenyl]methylcarbamic acid is sourced from PubChem (CID 134309125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).