[1-(4-bromo-2-chloro-6-fluorophenoxy)-2,4-dimethylpentan-2-yl] carbamate

C14H18BrClFNO3 — CID 175077034

IUPAC[1-(4-bromo-2-chloro-6-fluorophenoxy)-2,4-dimethylpentan-2-yl] carbamate
SMILESCC(C)CC(C)(COc1c(F)cc(Br)cc1Cl)OC(N)=O
InChIInChI=1S/C14H18BrClFNO3/c1-8(2)6-14(3,21-13(18)19)7-20-12-10(16)4-9(15)5-11(12)17/h4-5,8H,6-7H2,1-3H3,(H2,18,19)
InChIKeyVSHOBFDGZGWBHN-UHFFFAOYSA-N
MW382.66 g/mol
LogP4.52
Rot. Bonds6

About [1-(4-bromo-2-chloro-6-fluorophenoxy)-2,4-dimethylpentan-2-yl] carbamate

[1-(4-bromo-2-chloro-6-fluorophenoxy)-2,4-dimethylpentan-2-yl] carbamate (PubChem CID 175077034) has the molecular formula C14H18BrClFNO3 and a molecular weight of 382.66 g/mol. Its IUPAC name is [1-(4-bromo-2-chloro-6-fluorophenoxy)-2,4-dimethylpentan-2-yl] carbamate.

Molecular Properties

Compound Name[1-(4-bromo-2-chloro-6-fluorophenoxy)-2,4-dimethylpentan-2-yl] carbamate
PubChem CID175077034
Molecular FormulaC14H18BrClFNO3
Molecular Weight382.66 g/mol
Exact Mass381.01
IUPAC Name[1-(4-bromo-2-chloro-6-fluorophenoxy)-2,4-dimethylpentan-2-yl] carbamate
SMILESCC(C)CC(C)(COc1c(F)cc(Br)cc1Cl)OC(N)=O
InChIInChI=1S/C14H18BrClFNO3/c1-8(2)6-14(3,21-13(18)19)7-20-12-10(16)4-9(15)5-11(12)17/h4-5,8H,6-7H2,1-3H3,(H2,18,19)
InChIKeyVSHOBFDGZGWBHN-UHFFFAOYSA-N
XLogP4.52
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.66
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2-chloro-6-fluorophenoxy)-2,4-dimethylpentan-2-yl] carbamate?
The IUPAC name of [1-(4-bromo-2-chloro-6-fluorophenoxy)-2,4-dimethylpentan-2-yl] carbamate (CID 175077034) is [1-(4-bromo-2-chloro-6-fluorophenoxy)-2,4-dimethylpentan-2-yl] carbamate.
What is the SMILES notation for [1-(4-bromo-2-chloro-6-fluorophenoxy)-2,4-dimethylpentan-2-yl] carbamate?
The canonical SMILES for [1-(4-bromo-2-chloro-6-fluorophenoxy)-2,4-dimethylpentan-2-yl] carbamate is CC(C)CC(C)(COc1c(F)cc(Br)cc1Cl)OC(N)=O.
What is the InChIKey of [1-(4-bromo-2-chloro-6-fluorophenoxy)-2,4-dimethylpentan-2-yl] carbamate?
The InChIKey is VSHOBFDGZGWBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClFNO3/c1-8(2)6-14(3,21-13(18)19)7-20-12-10(16)4-9(15)5-11(12)17/h4-5,8H,6-7H2,1-3H3,(H2,18,19).
What are the key properties of [1-(4-bromo-2-chloro-6-fluorophenoxy)-2,4-dimethylpentan-2-yl] carbamate?
[1-(4-bromo-2-chloro-6-fluorophenoxy)-2,4-dimethylpentan-2-yl] carbamate has a molecular weight of 382.66 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-2-chloro-6-fluorophenoxy)-2,4-dimethylpentan-2-yl] carbamate is sourced from PubChem (CID 175077034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).