(2,5-difluorophenyl)methylcarbamic acid

C8H7F2NO2 — CID 21076562

IUPAC(2,5-difluorophenyl)methylcarbamic acid
SMILESO=C(O)NCc1cc(F)ccc1F
InChIInChI=1S/C8H7F2NO2/c9-6-1-2-7(10)5(3-6)4-11-8(12)13/h1-3,11H,4H2,(H,12,13)
InChIKeyOWNZBDMSBLOHQX-UHFFFAOYSA-N
MW187.15 g/mol
LogP1.73
Rot. Bonds2

About (2,5-difluorophenyl)methylcarbamic acid

(2,5-difluorophenyl)methylcarbamic acid (PubChem CID 21076562) has the molecular formula C8H7F2NO2 and a molecular weight of 187.15 g/mol. Its IUPAC name is (2,5-difluorophenyl)methylcarbamic acid.

Molecular Properties

Compound Name(2,5-difluorophenyl)methylcarbamic acid
PubChem CID21076562
Molecular FormulaC8H7F2NO2
Molecular Weight187.15 g/mol
Exact Mass187.04
IUPAC Name(2,5-difluorophenyl)methylcarbamic acid
SMILESO=C(O)NCc1cc(F)ccc1F
InChIInChI=1S/C8H7F2NO2/c9-6-1-2-7(10)5(3-6)4-11-8(12)13/h1-3,11H,4H2,(H,12,13)
InChIKeyOWNZBDMSBLOHQX-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

(2,4-difluorophenyl)methylcarbamic acid
CID 23207286
N-[(2,5-difluorophenyl)methyl]-2-hydrazinyl-2-oxoacetamide
CID 63791911
N-[(2,5-difluorophenyl)methyl]-3-oxobutanamide
CID 63795355
methyl 3-[(2,5-difluorophenyl)methylamino]-3-oxopropanoate
CID 115174318
N,N'-bis[(2,5-difluorophenyl)methyl]-2-methylidenebutanediamide
CID 155513092
N-[(2,5-difluorophenyl)methyl]-5-fluoro-2-hydroxybenzamide
CID 79880980
2-[(2,5-difluorophenyl)methylamino]ethylurea
CID 83111439
N-[(2,5-difluorophenyl)methyl]-3,3-dimethylbutanamide
CID 110780967
4-[(2,5-difluorophenyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 63792431
cis-(1R,2S)-2-[(2,5-difluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 129379157
2-chloro-N-[(2,5-difluorophenyl)methyl]-2-phenylacetamide
CID 63795872
[5-(3,3-dimethylbut-1-ynyl)-2-fluorophenyl]methylcarbamic acid
CID 139822441

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)methylcarbamic acid?
The IUPAC name of (2,5-difluorophenyl)methylcarbamic acid (CID 21076562) is (2,5-difluorophenyl)methylcarbamic acid.
What is the SMILES notation for (2,5-difluorophenyl)methylcarbamic acid?
The canonical SMILES for (2,5-difluorophenyl)methylcarbamic acid is O=C(O)NCc1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)methylcarbamic acid?
The InChIKey is OWNZBDMSBLOHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO2/c9-6-1-2-7(10)5(3-6)4-11-8(12)13/h1-3,11H,4H2,(H,12,13).
What are the key properties of (2,5-difluorophenyl)methylcarbamic acid?
(2,5-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 (2,5-difluorophenyl)methylcarbamic acid is sourced from PubChem (CID 21076562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).