(2-fluorophenyl)-(1-hydroxypropan-2-yl)carbamic acid

C10H12FNO3 — CID 122651775

IUPAC(2-fluorophenyl)-(1-hydroxypropan-2-yl)carbamic acid
SMILESCC(CO)N(C(=O)O)c1ccccc1F
InChIInChI=1S/C10H12FNO3/c1-7(6-13)12(10(14)15)9-5-3-2-4-8(9)11/h2-5,7,13H,6H2,1H3,(H,14,15)
InChIKeyVEZBSEVNVKCBOS-UHFFFAOYSA-N
MW213.21 g/mol
LogP1.69
Rot. Bonds3

About (2-fluorophenyl)-(1-hydroxypropan-2-yl)carbamic acid

(2-fluorophenyl)-(1-hydroxypropan-2-yl)carbamic acid (PubChem CID 122651775) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is (2-fluorophenyl)-(1-hydroxypropan-2-yl)carbamic acid.

Molecular Properties

Compound Name(2-fluorophenyl)-(1-hydroxypropan-2-yl)carbamic acid
PubChem CID122651775
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name(2-fluorophenyl)-(1-hydroxypropan-2-yl)carbamic acid
SMILESCC(CO)N(C(=O)O)c1ccccc1F
InChIInChI=1S/C10H12FNO3/c1-7(6-13)12(10(14)15)9-5-3-2-4-8(9)11/h2-5,7,13H,6H2,1H3,(H,14,15)
InChIKeyVEZBSEVNVKCBOS-UHFFFAOYSA-N
XLogP1.69
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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benzyl-(2-fluorophenyl)carbamic acid
CID 67213416
1-(2-fluorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]ethanone
CID 104552726
3-[ethyl-[ethyl-(2-fluorophenyl)carbamoyl]amino]butanoic acid
CID 62827357
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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(1-hydroxypropan-2-yl)carbamic acid?
The IUPAC name of (2-fluorophenyl)-(1-hydroxypropan-2-yl)carbamic acid (CID 122651775) is (2-fluorophenyl)-(1-hydroxypropan-2-yl)carbamic acid.
What is the SMILES notation for (2-fluorophenyl)-(1-hydroxypropan-2-yl)carbamic acid?
The canonical SMILES for (2-fluorophenyl)-(1-hydroxypropan-2-yl)carbamic acid is CC(CO)N(C(=O)O)c1ccccc1F.
What is the InChIKey of (2-fluorophenyl)-(1-hydroxypropan-2-yl)carbamic acid?
The InChIKey is VEZBSEVNVKCBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-7(6-13)12(10(14)15)9-5-3-2-4-8(9)11/h2-5,7,13H,6H2,1H3,(H,14,15).
What are the key properties of (2-fluorophenyl)-(1-hydroxypropan-2-yl)carbamic acid?
(2-fluorophenyl)-(1-hydroxypropan-2-yl)carbamic acid has a molecular weight of 213.21 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(1-hydroxypropan-2-yl)carbamic acid is sourced from PubChem (CID 122651775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).