(2,3-difluorophenyl) carbamate

C7H5F2NO2 — CID 154511519

IUPAC(2,3-difluorophenyl) carbamate
SMILESNC(=O)Oc1cccc(F)c1F
InChIInChI=1S/C7H5F2NO2/c8-4-2-1-3-5(6(4)9)12-7(10)11/h1-3H,(H2,10,11)
InChIKeyBULNFVHJRBAPMS-UHFFFAOYSA-N
MW173.12 g/mol
LogP1.42
Rot. Bonds1

About (2,3-difluorophenyl) carbamate

(2,3-difluorophenyl) carbamate (PubChem CID 154511519) has the molecular formula C7H5F2NO2 and a molecular weight of 173.12 g/mol. Its IUPAC name is (2,3-difluorophenyl) carbamate.

Molecular Properties

Compound Name(2,3-difluorophenyl) carbamate
PubChem CID154511519
Molecular FormulaC7H5F2NO2
Molecular Weight173.12 g/mol
Exact Mass173.03
IUPAC Name(2,3-difluorophenyl) carbamate
SMILESNC(=O)Oc1cccc(F)c1F
InChIInChI=1S/C7H5F2NO2/c8-4-2-1-3-5(6(4)9)12-7(10)11/h1-3H,(H2,10,11)
InChIKeyBULNFVHJRBAPMS-UHFFFAOYSA-N
XLogP1.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.12
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-difluorophenyl) 2,2,3,3,3-pentafluoropropanoate
CID 88574556
2-(2,3-difluorophenoxy)propanamide
CID 63038540
[3-(2-bromoethyl)-2-fluorophenyl] carbamate
CID 174593765
(3-carbamoyloxy-2-fluorophenyl)sulfamic acid
CID 174728578
(2,3-difluorophenyl) N-[2-(methylamino)propan-2-yl]carbamate
CID 166839830
ethyl 2-amino-3-(2,3-difluorophenoxy)propanoate
CID 55144001
[3-[(2,5-difluorophenyl)sulfonylamino]-2-fluorophenyl] carbamate
CID 174629530
(2-hydroxy-3-methoxyphenyl) carbamate
CID 68617707
(2,3-difluorophenyl) 4-(4-hydroxycyclohexyl)cyclohexane-1-carboxylate
CID 129138320
(2,3-difluorophenyl) 4-ethylcyclohexane-1-carboxylate
CID 139638411
methyl 2-amino-5-(2,3-difluorophenoxy)-4-fluorobenzoate
CID 63036791
methyl 2-(2,3-difluorophenoxy)acetate
CID 63037600

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl) carbamate?
The IUPAC name of (2,3-difluorophenyl) carbamate (CID 154511519) is (2,3-difluorophenyl) carbamate.
What is the SMILES notation for (2,3-difluorophenyl) carbamate?
The canonical SMILES for (2,3-difluorophenyl) carbamate is NC(=O)Oc1cccc(F)c1F.
What is the InChIKey of (2,3-difluorophenyl) carbamate?
The InChIKey is BULNFVHJRBAPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO2/c8-4-2-1-3-5(6(4)9)12-7(10)11/h1-3H,(H2,10,11).
What are the key properties of (2,3-difluorophenyl) carbamate?
(2,3-difluorophenyl) carbamate has a molecular weight of 173.12 g/mol, XLogP of 1.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl) carbamate is sourced from PubChem (CID 154511519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).