2-(2,5-difluoro-4-methoxyphenyl)ethylcarbamic acid

C10H11F2NO3 — CID 115171185

IUPAC2-(2,5-difluoro-4-methoxyphenyl)ethylcarbamic acid
SMILESCOc1cc(F)c(CCNC(=O)O)cc1F
InChIInChI=1S/C10H11F2NO3/c1-16-9-5-7(11)6(4-8(9)12)2-3-13-10(14)15/h4-5,13H,2-3H2,1H3,(H,14,15)
InChIKeyZJZGLXKBMOVSPG-UHFFFAOYSA-N
MW231.20 g/mol
LogP1.78
Rot. Bonds4

About 2-(2,5-difluoro-4-methoxyphenyl)ethylcarbamic acid

2-(2,5-difluoro-4-methoxyphenyl)ethylcarbamic acid (PubChem CID 115171185) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is 2-(2,5-difluoro-4-methoxyphenyl)ethylcarbamic acid.

Molecular Properties

Compound Name2-(2,5-difluoro-4-methoxyphenyl)ethylcarbamic acid
PubChem CID115171185
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Name2-(2,5-difluoro-4-methoxyphenyl)ethylcarbamic acid
SMILESCOc1cc(F)c(CCNC(=O)O)cc1F
InChIInChI=1S/C10H11F2NO3/c1-16-9-5-7(11)6(4-8(9)12)2-3-13-10(14)15/h4-5,13H,2-3H2,1H3,(H,14,15)
InChIKeyZJZGLXKBMOVSPG-UHFFFAOYSA-N
XLogP1.78
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-3-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]urea
CID 115192963
2-[2-(2,5-difluoro-4-methoxyphenyl)ethylamino]acetic acid
CID 112518457
2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid
CID 115171106
2-[2-(2,5-difluoro-4-methoxyphenyl)ethylamino]acetaldehyde
CID 115223282
3-(2,5-difluoro-4-methoxyphenyl)propanehydrazide
CID 116843529
2-(5-chloro-2-methoxyphenyl)ethylcarbamic acid
CID 115171089
3-[(2,5-difluoro-4-methoxyphenyl)methylamino]-3-oxopropanoic acid
CID 115163429
3-(2,5-difluoro-4-methoxyphenyl)propanal
CID 73014070
N-[(2,5-difluoro-4-methoxyphenyl)methyl]-2,2,2-trifluoroacetamide
CID 115190275
1-[2-(2,5-difluoro-4-methoxyphenyl)ethyl]-1-methylurea
CID 115168702
2-(2,5-difluoro-4-methoxyphenyl)-N',N'-dimethylacetohydrazide
CID 116847504
2-[2-fluoro-4-[methoxy(methyl)carbamoyl]phenyl]ethylcarbamic acid
CID 87890163

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluoro-4-methoxyphenyl)ethylcarbamic acid?
The IUPAC name of 2-(2,5-difluoro-4-methoxyphenyl)ethylcarbamic acid (CID 115171185) is 2-(2,5-difluoro-4-methoxyphenyl)ethylcarbamic acid.
What is the SMILES notation for 2-(2,5-difluoro-4-methoxyphenyl)ethylcarbamic acid?
The canonical SMILES for 2-(2,5-difluoro-4-methoxyphenyl)ethylcarbamic acid is COc1cc(F)c(CCNC(=O)O)cc1F.
What is the InChIKey of 2-(2,5-difluoro-4-methoxyphenyl)ethylcarbamic acid?
The InChIKey is ZJZGLXKBMOVSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c1-16-9-5-7(11)6(4-8(9)12)2-3-13-10(14)15/h4-5,13H,2-3H2,1H3,(H,14,15).
What are the key properties of 2-(2,5-difluoro-4-methoxyphenyl)ethylcarbamic acid?
2-(2,5-difluoro-4-methoxyphenyl)ethylcarbamic acid has a molecular weight of 231.20 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluoro-4-methoxyphenyl)ethylcarbamic acid is sourced from PubChem (CID 115171185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).