(2,3-difluoro-4-hydroxy-6-methylphenyl) carbamate

C8H7F2NO3 — CID 175119209

IUPAC(2,3-difluoro-4-hydroxy-6-methylphenyl) carbamate
SMILESCc1cc(O)c(F)c(F)c1OC(N)=O
InChIInChI=1S/C8H7F2NO3/c1-3-2-4(12)5(9)6(10)7(3)14-8(11)13/h2,12H,1H3,(H2,11,13)
InChIKeyLGMDFYREVRTSKD-UHFFFAOYSA-N
MW203.14 g/mol
LogP1.44
Rot. Bonds1

About (2,3-difluoro-4-hydroxy-6-methylphenyl) carbamate

(2,3-difluoro-4-hydroxy-6-methylphenyl) carbamate (PubChem CID 175119209) has the molecular formula C8H7F2NO3 and a molecular weight of 203.14 g/mol. Its IUPAC name is (2,3-difluoro-4-hydroxy-6-methylphenyl) carbamate.

Molecular Properties

Compound Name(2,3-difluoro-4-hydroxy-6-methylphenyl) carbamate
PubChem CID175119209
Molecular FormulaC8H7F2NO3
Molecular Weight203.14 g/mol
Exact Mass203.04
IUPAC Name(2,3-difluoro-4-hydroxy-6-methylphenyl) carbamate
SMILESCc1cc(O)c(F)c(F)c1OC(N)=O
InChIInChI=1S/C8H7F2NO3/c1-3-2-4(12)5(9)6(10)7(3)14-8(11)13/h2,12H,1H3,(H2,11,13)
InChIKeyLGMDFYREVRTSKD-UHFFFAOYSA-N
XLogP1.44
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.14
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-hydroxy-6-methylphenyl) carbamate?
The IUPAC name of (2,3-difluoro-4-hydroxy-6-methylphenyl) carbamate (CID 175119209) is (2,3-difluoro-4-hydroxy-6-methylphenyl) carbamate.
What is the SMILES notation for (2,3-difluoro-4-hydroxy-6-methylphenyl) carbamate?
The canonical SMILES for (2,3-difluoro-4-hydroxy-6-methylphenyl) carbamate is Cc1cc(O)c(F)c(F)c1OC(N)=O.
What is the InChIKey of (2,3-difluoro-4-hydroxy-6-methylphenyl) carbamate?
The InChIKey is LGMDFYREVRTSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO3/c1-3-2-4(12)5(9)6(10)7(3)14-8(11)13/h2,12H,1H3,(H2,11,13).
What are the key properties of (2,3-difluoro-4-hydroxy-6-methylphenyl) carbamate?
(2,3-difluoro-4-hydroxy-6-methylphenyl) carbamate has a molecular weight of 203.14 g/mol, XLogP of 1.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-hydroxy-6-methylphenyl) carbamate is sourced from PubChem (CID 175119209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).