(4-fluoro-2-hydroxyphenyl)methylcarbamic acid

C8H8FNO3 — CID 67109435

IUPAC(4-fluoro-2-hydroxyphenyl)methylcarbamic acid
SMILESO=C(O)NCc1ccc(F)cc1O
InChIInChI=1S/C8H8FNO3/c9-6-2-1-5(7(11)3-6)4-10-8(12)13/h1-3,10-11H,4H2,(H,12,13)
InChIKeyPFXDIZSPKBHAMN-UHFFFAOYSA-N
MW185.15 g/mol
LogP1.30
Rot. Bonds2

About (4-fluoro-2-hydroxyphenyl)methylcarbamic acid

(4-fluoro-2-hydroxyphenyl)methylcarbamic acid (PubChem CID 67109435) has the molecular formula C8H8FNO3 and a molecular weight of 185.15 g/mol. Its IUPAC name is (4-fluoro-2-hydroxyphenyl)methylcarbamic acid.

Molecular Properties

Compound Name(4-fluoro-2-hydroxyphenyl)methylcarbamic acid
PubChem CID67109435
Molecular FormulaC8H8FNO3
Molecular Weight185.15 g/mol
Exact Mass185.05
IUPAC Name(4-fluoro-2-hydroxyphenyl)methylcarbamic acid
SMILESO=C(O)NCc1ccc(F)cc1O
InChIInChI=1S/C8H8FNO3/c9-6-2-1-5(7(11)3-6)4-10-8(12)13/h1-3,10-11H,4H2,(H,12,13)
InChIKeyPFXDIZSPKBHAMN-UHFFFAOYSA-N
XLogP1.30
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-hydroxyphenyl)methylcarbamic acid?
The IUPAC name of (4-fluoro-2-hydroxyphenyl)methylcarbamic acid (CID 67109435) is (4-fluoro-2-hydroxyphenyl)methylcarbamic acid.
What is the SMILES notation for (4-fluoro-2-hydroxyphenyl)methylcarbamic acid?
The canonical SMILES for (4-fluoro-2-hydroxyphenyl)methylcarbamic acid is O=C(O)NCc1ccc(F)cc1O.
What is the InChIKey of (4-fluoro-2-hydroxyphenyl)methylcarbamic acid?
The InChIKey is PFXDIZSPKBHAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO3/c9-6-2-1-5(7(11)3-6)4-10-8(12)13/h1-3,10-11H,4H2,(H,12,13).
What are the key properties of (4-fluoro-2-hydroxyphenyl)methylcarbamic acid?
(4-fluoro-2-hydroxyphenyl)methylcarbamic acid has a molecular weight of 185.15 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-hydroxyphenyl)methylcarbamic acid is sourced from PubChem (CID 67109435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).