(3-fluoro-4-formylphenyl)carbamic acid

C8H6FNO3 — CID 91366122

IUPAC(3-fluoro-4-formylphenyl)carbamic acid
SMILESO=Cc1ccc(NC(=O)O)cc1F
InChIInChI=1S/C8H6FNO3/c9-7-3-6(10-8(12)13)2-1-5(7)4-11/h1-4,10H,(H,12,13)
InChIKeyVZZMZWWHXGLAHM-UHFFFAOYSA-N
MW183.14 g/mol
LogP1.73
Rot. Bonds2

About (3-fluoro-4-formylphenyl)carbamic acid

(3-fluoro-4-formylphenyl)carbamic acid (PubChem CID 91366122) has the molecular formula C8H6FNO3 and a molecular weight of 183.14 g/mol. Its IUPAC name is (3-fluoro-4-formylphenyl)carbamic acid.

Molecular Properties

Compound Name(3-fluoro-4-formylphenyl)carbamic acid
PubChem CID91366122
Molecular FormulaC8H6FNO3
Molecular Weight183.14 g/mol
Exact Mass183.03
IUPAC Name(3-fluoro-4-formylphenyl)carbamic acid
SMILESO=Cc1ccc(NC(=O)O)cc1F
InChIInChI=1S/C8H6FNO3/c9-7-3-6(10-8(12)13)2-1-5(7)4-11/h1-4,10H,(H,12,13)
InChIKeyVZZMZWWHXGLAHM-UHFFFAOYSA-N
XLogP1.73
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.14
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-fluoro-4-formylphenyl)carbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[(3-fluoro-4-formylphenyl)methyl]phenyl]carbamic acid
CID 174187468
2-fluoro-4-hydrazinylbenzaldehyde
CID 131118767
N-[4-(3-fluoro-4-formylphenyl)phenyl]cyclopropanecarboxamide
CID 118494882
[4-fluoro-3-[(5-formyl-2-methylsulfanylpyrimidin-4-yl)amino]phenyl]carbamic acid
CID 90374373
benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid
CID 174945939
3-fluoro-4-formyl-N-methylbenzamide
CID 131572088
3-[4-[(2-cyclopropylacetyl)amino]-2-fluorophenyl]prop-2-enoic acid
CID 77069539
(4-fluoro-3-nitrophenyl)carbamic acid
CID 22238368
(3-fluoro-4-formyl-2-nitrophenyl)carbamic acid
CID 155315355
[2,3-bis(4-fluorophenyl)quinoxalin-6-yl]carbamic acid
CID 118453878
[3-(1-aminoethyl)-4-fluorophenyl]carbamic acid
CID 155438287
3-[4-(tert-butylcarbamoylamino)-2-fluorophenyl]prop-2-enoic acid
CID 77069562

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-formylphenyl)carbamic acid?
The IUPAC name of (3-fluoro-4-formylphenyl)carbamic acid (CID 91366122) is (3-fluoro-4-formylphenyl)carbamic acid.
What is the SMILES notation for (3-fluoro-4-formylphenyl)carbamic acid?
The canonical SMILES for (3-fluoro-4-formylphenyl)carbamic acid is O=Cc1ccc(NC(=O)O)cc1F.
What is the InChIKey of (3-fluoro-4-formylphenyl)carbamic acid?
The InChIKey is VZZMZWWHXGLAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FNO3/c9-7-3-6(10-8(12)13)2-1-5(7)4-11/h1-4,10H,(H,12,13).
What are the key properties of (3-fluoro-4-formylphenyl)carbamic acid?
(3-fluoro-4-formylphenyl)carbamic acid has a molecular weight of 183.14 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-formylphenyl)carbamic acid is sourced from PubChem (CID 91366122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).