(2,4-difluorophenyl)methylcarbamic acid

C8H7F2NO2 — CID 23207286

IUPAC(2,4-difluorophenyl)methylcarbamic acid
SMILESO=C(O)NCc1ccc(F)cc1F
InChIInChI=1S/C8H7F2NO2/c9-6-2-1-5(7(10)3-6)4-11-8(12)13/h1-3,11H,4H2,(H,12,13)
InChIKeyKMLNNIZIVCQBOB-UHFFFAOYSA-N
MW187.15 g/mol
LogP1.73
Rot. Bonds2

About (2,4-difluorophenyl)methylcarbamic acid

(2,4-difluorophenyl)methylcarbamic acid (PubChem CID 23207286) has the molecular formula C8H7F2NO2 and a molecular weight of 187.15 g/mol. Its IUPAC name is (2,4-difluorophenyl)methylcarbamic acid.

Molecular Properties

Compound Name(2,4-difluorophenyl)methylcarbamic acid
PubChem CID23207286
Molecular FormulaC8H7F2NO2
Molecular Weight187.15 g/mol
Exact Mass187.04
IUPAC Name(2,4-difluorophenyl)methylcarbamic acid
SMILESO=C(O)NCc1ccc(F)cc1F
InChIInChI=1S/C8H7F2NO2/c9-6-2-1-5(7(10)3-6)4-11-8(12)13/h1-3,11H,4H2,(H,12,13)
InChIKeyKMLNNIZIVCQBOB-UHFFFAOYSA-N
XLogP1.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2,5-difluorophenyl)methylcarbamic acid
CID 21076562
N'-[(2,4-difluorophenyl)methyl]oxamide
CID 115191832
1-cyano-N-[(2,4-difluorophenyl)methyl]formamide
CID 115172177
(2-cyano-4-fluorophenyl)methylcarbamic acid
CID 67439404
2-[2-[(2,4-difluorophenyl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 112684608
3-[(2,4-difluorophenyl)methyl]-1,1-diethylurea
CID 115598131
3-[(2,4-difluorophenyl)methylcarbamoyl]benzoic acid
CID 62229810
1-[[(2,4-difluorophenyl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451560
N-[(2,4-difluorophenyl)methyl]-2-phenoxyacetamide
CID 110782203
3-[(2,4-difluorophenyl)methylcarbamoylamino]butanoic acid
CID 62228725
(2R)-2-amino-N-[(2,4-difluorophenyl)methyl]propanamide;hydrochloride
CID 119280925
N-[(2,4-difluorophenyl)methyl]-4-iodobenzamide
CID 60739464

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)methylcarbamic acid?
The IUPAC name of (2,4-difluorophenyl)methylcarbamic acid (CID 23207286) is (2,4-difluorophenyl)methylcarbamic acid.
What is the SMILES notation for (2,4-difluorophenyl)methylcarbamic acid?
The canonical SMILES for (2,4-difluorophenyl)methylcarbamic acid is O=C(O)NCc1ccc(F)cc1F.
What is the InChIKey of (2,4-difluorophenyl)methylcarbamic acid?
The InChIKey is KMLNNIZIVCQBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO2/c9-6-2-1-5(7(10)3-6)4-11-8(12)13/h1-3,11H,4H2,(H,12,13).
What are the key properties of (2,4-difluorophenyl)methylcarbamic acid?
(2,4-difluorophenyl)methylcarbamic acid has a molecular weight of 187.15 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)methylcarbamic acid is sourced from PubChem (CID 23207286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).