[(1R)-1-[4-bromo-2-(difluoromethyl)-3-fluorophenyl]ethyl] carbamate

C10H9BrF3NO2 — CID 153295502

IUPAC[(1R)-1-[4-bromo-2-(difluoromethyl)-3-fluorophenyl]ethyl] carbamate
SMILESC[C@@H](OC(N)=O)c1ccc(Br)c(F)c1C(F)F
InChIInChI=1S/C10H9BrF3NO2/c1-4(17-10(15)16)5-2-3-6(11)8(12)7(5)9(13)14/h2-4,9H,1H3,(H2,15,16)/t4-/m1/s1
InChIKeyFEKPAAAOFSLMCX-SCSAIBSYSA-N
MW312.09 g/mol
LogP3.68
Rot. Bonds3

About [(1R)-1-[4-bromo-2-(difluoromethyl)-3-fluorophenyl]ethyl] carbamate

[(1R)-1-[4-bromo-2-(difluoromethyl)-3-fluorophenyl]ethyl] carbamate (PubChem CID 153295502) has the molecular formula C10H9BrF3NO2 and a molecular weight of 312.09 g/mol. Its IUPAC name is [(1R)-1-[4-bromo-2-(difluoromethyl)-3-fluorophenyl]ethyl] carbamate.

Molecular Properties

Compound Name[(1R)-1-[4-bromo-2-(difluoromethyl)-3-fluorophenyl]ethyl] carbamate
PubChem CID153295502
Molecular FormulaC10H9BrF3NO2
Molecular Weight312.09 g/mol
Exact Mass310.98
IUPAC Name[(1R)-1-[4-bromo-2-(difluoromethyl)-3-fluorophenyl]ethyl] carbamate
SMILESC[C@@H](OC(N)=O)c1ccc(Br)c(F)c1C(F)F
InChIInChI=1S/C10H9BrF3NO2/c1-4(17-10(15)16)5-2-3-6(11)8(12)7(5)9(13)14/h2-4,9H,1H3,(H2,15,16)/t4-/m1/s1
InChIKeyFEKPAAAOFSLMCX-SCSAIBSYSA-N
XLogP3.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.09
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-Bromophenyl)methyl carbamate
CID 69381791
3-Bromo-alpha-methylbenzyl alcohol, trifluoroacetate
CID 91703444
2-(5-Bromo-2-fluorophenyl)propan-2-yl carbamate
CID 68327814
2-(3-Bromo-4-fluorophenyl)propan-2-yl carbamate
CID 68328147
(5-bromo-2-fluorophenyl)methyl N-tert-butylcarbamate
CID 69767542
[2-(5-Bromo-2-fluorophenyl)-1,1-difluorobut-3-en-2-yl] carbamate
CID 89846251
[(1S)-1-(4-bromophenyl)-2,2,2-trifluoroethyl] acetate
CID 102527313
[1-(3-Bromo-2-fluorophenyl)-2-fluoroethyl] carbamate
CID 117820159
4-Bromo-2-(methoxymethyl)-1-(trifluoromethyl)benzene
CID 118694249
2-[4-Bromo-2-(trifluoromethyl)phenyl]oxirane
CID 139822695
1-(2-Bromo-3-tert-butyl-4-fluorophenyl)ethyl carbamate
CID 142789343
tert-butyl N-[(1S)-1-(4-bromophenyl)-3-fluoropropoxy]carbonylcarbamate
CID 142806560

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[4-bromo-2-(difluoromethyl)-3-fluorophenyl]ethyl] carbamate?
The IUPAC name of [(1R)-1-[4-bromo-2-(difluoromethyl)-3-fluorophenyl]ethyl] carbamate (CID 153295502) is [(1R)-1-[4-bromo-2-(difluoromethyl)-3-fluorophenyl]ethyl] carbamate.
What is the SMILES notation for [(1R)-1-[4-bromo-2-(difluoromethyl)-3-fluorophenyl]ethyl] carbamate?
The canonical SMILES for [(1R)-1-[4-bromo-2-(difluoromethyl)-3-fluorophenyl]ethyl] carbamate is C[C@@H](OC(N)=O)c1ccc(Br)c(F)c1C(F)F.
What is the InChIKey of [(1R)-1-[4-bromo-2-(difluoromethyl)-3-fluorophenyl]ethyl] carbamate?
The InChIKey is FEKPAAAOFSLMCX-SCSAIBSYSA-N. The full InChI is InChI=1S/C10H9BrF3NO2/c1-4(17-10(15)16)5-2-3-6(11)8(12)7(5)9(13)14/h2-4,9H,1H3,(H2,15,16)/t4-/m1/s1.
What are the key properties of [(1R)-1-[4-bromo-2-(difluoromethyl)-3-fluorophenyl]ethyl] carbamate?
[(1R)-1-[4-bromo-2-(difluoromethyl)-3-fluorophenyl]ethyl] carbamate has a molecular weight of 312.09 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[4-bromo-2-(difluoromethyl)-3-fluorophenyl]ethyl] carbamate is sourced from PubChem (CID 153295502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).