ethyl N-[3-(difluoromethoxy)phenyl]carbamate

C10H11F2NO3 — CID 61062462

IUPACethyl N-[3-(difluoromethoxy)phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C10H11F2NO3/c1-2-15-10(14)13-7-4-3-5-8(6-7)16-9(11)12/h3-6,9H,2H2,1H3,(H,13,14)
InChIKeyKCAYVABPWYPWSC-UHFFFAOYSA-N
MW231.20 g/mol
LogP2.86
Rot. Bonds4

About ethyl N-[3-(difluoromethoxy)phenyl]carbamate

ethyl N-[3-(difluoromethoxy)phenyl]carbamate (PubChem CID 61062462) has the molecular formula C10H11F2NO3 and a molecular weight of 231.20 g/mol. Its IUPAC name is ethyl N-[3-(difluoromethoxy)phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-(difluoromethoxy)phenyl]carbamate
PubChem CID61062462
Molecular FormulaC10H11F2NO3
Molecular Weight231.20 g/mol
Exact Mass231.07
IUPAC Nameethyl N-[3-(difluoromethoxy)phenyl]carbamate
SMILESCCOC(=O)Nc1cccc(OC(F)F)c1
InChIInChI=1S/C10H11F2NO3/c1-2-15-10(14)13-7-4-3-5-8(6-7)16-9(11)12/h3-6,9H,2H2,1H3,(H,13,14)
InChIKeyKCAYVABPWYPWSC-UHFFFAOYSA-N
XLogP2.86
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.20
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[3-(ethoxycarbonylamino)phenyl]carbamate
CID 897252
ethyl 3-[3-(difluoromethoxy)anilino]but-2-enoate
CID 3279550
ethyl N-[3-(2-methylpropoxy)phenyl]carbamate
CID 60643144
ethyl N-(3-propoxyphenyl)carbamate
CID 60643143
(2S,3S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylpentanamide
CID 61179102
[3-(ethoxycarbonylamino)phenyl]carbamic acid
CID 12763081
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide
CID 61146338
ethyl N-[3-[(2R)-1-(3,5-dimethoxyanilino)-1-oxopropan-2-yl]oxyphenyl]carbamate
CID 30343450
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide;hydrochloride
CID 119280792
ethyl N-[3-chloro-4-(difluoromethoxy)phenyl]carbamate
CID 60637785
ethyl N-[(3-methoxyphenyl)carbamoyl]carbamate
CID 13221153
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-3-methylbutanamide
CID 61178920

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-(difluoromethoxy)phenyl]carbamate?
The IUPAC name of ethyl N-[3-(difluoromethoxy)phenyl]carbamate (CID 61062462) is ethyl N-[3-(difluoromethoxy)phenyl]carbamate.
What is the SMILES notation for ethyl N-[3-(difluoromethoxy)phenyl]carbamate?
The canonical SMILES for ethyl N-[3-(difluoromethoxy)phenyl]carbamate is CCOC(=O)Nc1cccc(OC(F)F)c1.
What is the InChIKey of ethyl N-[3-(difluoromethoxy)phenyl]carbamate?
The InChIKey is KCAYVABPWYPWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO3/c1-2-15-10(14)13-7-4-3-5-8(6-7)16-9(11)12/h3-6,9H,2H2,1H3,(H,13,14).
What are the key properties of ethyl N-[3-(difluoromethoxy)phenyl]carbamate?
ethyl N-[3-(difluoromethoxy)phenyl]carbamate has a molecular weight of 231.20 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-(difluoromethoxy)phenyl]carbamate is sourced from PubChem (CID 61062462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).