[1-(4-bromo-3-fluorophenyl)cyclopropyl]-methylcarbamic acid

C11H11BrFNO2 — CID 66910910

IUPAC[1-(4-bromo-3-fluorophenyl)cyclopropyl]-methylcarbamic acid
SMILESCN(C(=O)O)C1(c2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C11H11BrFNO2/c1-14(10(15)16)11(4-5-11)7-2-3-8(12)9(13)6-7/h2-3,6H,4-5H2,1H3,(H,15,16)
InChIKeyXTSSGYJCKCXQSY-UHFFFAOYSA-N
MW288.12 g/mol
LogP3.19
Rot. Bonds2

About [1-(4-bromo-3-fluorophenyl)cyclopropyl]-methylcarbamic acid

[1-(4-bromo-3-fluorophenyl)cyclopropyl]-methylcarbamic acid (PubChem CID 66910910) has the molecular formula C11H11BrFNO2 and a molecular weight of 288.12 g/mol. Its IUPAC name is [1-(4-bromo-3-fluorophenyl)cyclopropyl]-methylcarbamic acid.

Molecular Properties

Compound Name[1-(4-bromo-3-fluorophenyl)cyclopropyl]-methylcarbamic acid
PubChem CID66910910
Molecular FormulaC11H11BrFNO2
Molecular Weight288.12 g/mol
Exact Mass287.00
IUPAC Name[1-(4-bromo-3-fluorophenyl)cyclopropyl]-methylcarbamic acid
SMILESCN(C(=O)O)C1(c2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C11H11BrFNO2/c1-14(10(15)16)11(4-5-11)7-2-3-8(12)9(13)6-7/h2-3,6H,4-5H2,1H3,(H,15,16)
InChIKeyXTSSGYJCKCXQSY-UHFFFAOYSA-N
XLogP3.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.12
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-3-fluorophenyl)cyclopropyl]-methylcarbamic acid?
The IUPAC name of [1-(4-bromo-3-fluorophenyl)cyclopropyl]-methylcarbamic acid (CID 66910910) is [1-(4-bromo-3-fluorophenyl)cyclopropyl]-methylcarbamic acid.
What is the SMILES notation for [1-(4-bromo-3-fluorophenyl)cyclopropyl]-methylcarbamic acid?
The canonical SMILES for [1-(4-bromo-3-fluorophenyl)cyclopropyl]-methylcarbamic acid is CN(C(=O)O)C1(c2ccc(Br)c(F)c2)CC1.
What is the InChIKey of [1-(4-bromo-3-fluorophenyl)cyclopropyl]-methylcarbamic acid?
The InChIKey is XTSSGYJCKCXQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO2/c1-14(10(15)16)11(4-5-11)7-2-3-8(12)9(13)6-7/h2-3,6H,4-5H2,1H3,(H,15,16).
What are the key properties of [1-(4-bromo-3-fluorophenyl)cyclopropyl]-methylcarbamic acid?
[1-(4-bromo-3-fluorophenyl)cyclopropyl]-methylcarbamic acid has a molecular weight of 288.12 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-3-fluorophenyl)cyclopropyl]-methylcarbamic acid is sourced from PubChem (CID 66910910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).