(4-fluoro-3,5-dimethylphenyl)carbamic acid

C9H10FNO2 — CID 175535904

IUPAC(4-fluoro-3,5-dimethylphenyl)carbamic acid
SMILESCc1cc(NC(=O)O)cc(C)c1F
InChIInChI=1S/C9H10FNO2/c1-5-3-7(11-9(12)13)4-6(2)8(5)10/h3-4,11H,1-2H3,(H,12,13)
InChIKeyUTBVVOSRVHJECQ-UHFFFAOYSA-N
MW183.18 g/mol
LogP2.53
Rot. Bonds1

About (4-fluoro-3,5-dimethylphenyl)carbamic acid

(4-fluoro-3,5-dimethylphenyl)carbamic acid (PubChem CID 175535904) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is (4-fluoro-3,5-dimethylphenyl)carbamic acid.

Molecular Properties

Compound Name(4-fluoro-3,5-dimethylphenyl)carbamic acid
PubChem CID175535904
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name(4-fluoro-3,5-dimethylphenyl)carbamic acid
SMILESCc1cc(NC(=O)O)cc(C)c1F
InChIInChI=1S/C9H10FNO2/c1-5-3-7(11-9(12)13)4-6(2)8(5)10/h3-4,11H,1-2H3,(H,12,13)
InChIKeyUTBVVOSRVHJECQ-UHFFFAOYSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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[3-[(1R)-1-aminoethyl]-5-(difluoromethyl)-4-fluorophenyl]carbamic acid
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carbanide;cerium(3+);(3,5-dimethoxy-4-methylphenyl)carbamic acid
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3-[(4-fluoro-3,5-dimethylphenyl)methylamino]-2-methyl-3-oxopropanoic acid
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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3,5-dimethylphenyl)carbamic acid?
The IUPAC name of (4-fluoro-3,5-dimethylphenyl)carbamic acid (CID 175535904) is (4-fluoro-3,5-dimethylphenyl)carbamic acid.
What is the SMILES notation for (4-fluoro-3,5-dimethylphenyl)carbamic acid?
The canonical SMILES for (4-fluoro-3,5-dimethylphenyl)carbamic acid is Cc1cc(NC(=O)O)cc(C)c1F.
What is the InChIKey of (4-fluoro-3,5-dimethylphenyl)carbamic acid?
The InChIKey is UTBVVOSRVHJECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-5-3-7(11-9(12)13)4-6(2)8(5)10/h3-4,11H,1-2H3,(H,12,13).
What are the key properties of (4-fluoro-3,5-dimethylphenyl)carbamic acid?
(4-fluoro-3,5-dimethylphenyl)carbamic acid has a molecular weight of 183.18 g/mol, XLogP of 2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3,5-dimethylphenyl)carbamic acid is sourced from PubChem (CID 175535904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).