[3-chloro-5-(difluoromethoxy)phenyl] carbamate

C8H6ClF2NO3 — CID 174190375

IUPAC[3-chloro-5-(difluoromethoxy)phenyl] carbamate
SMILESNC(=O)Oc1cc(Cl)cc(OC(F)F)c1
InChIInChI=1S/C8H6ClF2NO3/c9-4-1-5(14-7(10)11)3-6(2-4)15-8(12)13/h1-3,7H,(H2,12,13)
InChIKeyJUCJPYFLMQNZPG-UHFFFAOYSA-N
MW237.59 g/mol
LogP2.40
Rot. Bonds3

About [3-chloro-5-(difluoromethoxy)phenyl] carbamate

[3-chloro-5-(difluoromethoxy)phenyl] carbamate (PubChem CID 174190375) has the molecular formula C8H6ClF2NO3 and a molecular weight of 237.59 g/mol. Its IUPAC name is [3-chloro-5-(difluoromethoxy)phenyl] carbamate.

Molecular Properties

Compound Name[3-chloro-5-(difluoromethoxy)phenyl] carbamate
PubChem CID174190375
Molecular FormulaC8H6ClF2NO3
Molecular Weight237.59 g/mol
Exact Mass237.00
IUPAC Name[3-chloro-5-(difluoromethoxy)phenyl] carbamate
SMILESNC(=O)Oc1cc(Cl)cc(OC(F)F)c1
InChIInChI=1S/C8H6ClF2NO3/c9-4-1-5(14-7(10)11)3-6(2-4)15-8(12)13/h1-3,7H,(H2,12,13)
InChIKeyJUCJPYFLMQNZPG-UHFFFAOYSA-N
XLogP2.40
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.59
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-1-[3-chloro-5-(difluoromethoxy)phenyl]propan-1-one
CID 134625308
2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;ethane
CID 143058060
[3-chloro-5-(difluoromethoxy)phenyl]methanamine
CID 130564088
4-(difluoromethoxy)-2,6-di(propan-2-yl)benzamide
CID 151521559
1-[2,6-dichloro-4-(difluoromethoxy)phenyl]ethanone
CID 121228158
[5-(difluoromethoxy)-2,4-difluorophenyl] carbamate
CID 175535923
bis(3,5-dichlorophenyl) carbonate
CID 139771619
2-(3,5-dichlorophenoxy)propanoyl chloride
CID 82042078
1-chloro-3-(difluoromethoxy)-5-isocyanatobenzene
CID 171028430
(3,5-dibromophenyl) carbamate
CID 175177777
(3-amino-5-chloro-2-fluorophenyl) carbamate
CID 174670432
(3,5-dichlorophenyl) 2,2,2-trifluoroacetate
CID 91695317

Frequently Asked Questions

What is the IUPAC name of [3-chloro-5-(difluoromethoxy)phenyl] carbamate?
The IUPAC name of [3-chloro-5-(difluoromethoxy)phenyl] carbamate (CID 174190375) is [3-chloro-5-(difluoromethoxy)phenyl] carbamate.
What is the SMILES notation for [3-chloro-5-(difluoromethoxy)phenyl] carbamate?
The canonical SMILES for [3-chloro-5-(difluoromethoxy)phenyl] carbamate is NC(=O)Oc1cc(Cl)cc(OC(F)F)c1.
What is the InChIKey of [3-chloro-5-(difluoromethoxy)phenyl] carbamate?
The InChIKey is JUCJPYFLMQNZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2NO3/c9-4-1-5(14-7(10)11)3-6(2-4)15-8(12)13/h1-3,7H,(H2,12,13).
What are the key properties of [3-chloro-5-(difluoromethoxy)phenyl] carbamate?
[3-chloro-5-(difluoromethoxy)phenyl] carbamate has a molecular weight of 237.59 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-5-(difluoromethoxy)phenyl] carbamate is sourced from PubChem (CID 174190375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).