2-(3-bromofuran-2-yl)cyclopentane-1-carboxylic acid

C10H11BrO3 — CID 81009088

IUPAC2-(3-bromofuran-2-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1c1occc1Br
InChIInChI=1S/C10H11BrO3/c11-8-4-5-14-9(8)6-2-1-3-7(6)10(12)13/h4-7H,1-3H2,(H,12,13)
InChIKeyDVMPTTWBYVZLEQ-UHFFFAOYSA-N
MW259.10 g/mol
LogP3.01
Rot. Bonds2

About 2-(3-bromofuran-2-yl)cyclopentane-1-carboxylic acid

2-(3-bromofuran-2-yl)cyclopentane-1-carboxylic acid (PubChem CID 81009088) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is 2-(3-bromofuran-2-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-bromofuran-2-yl)cyclopentane-1-carboxylic acid
PubChem CID81009088
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name2-(3-bromofuran-2-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCCC1c1occc1Br
InChIInChI=1S/C10H11BrO3/c11-8-4-5-14-9(8)6-2-1-3-7(6)10(12)13/h4-7H,1-3H2,(H,12,13)
InChIKeyDVMPTTWBYVZLEQ-UHFFFAOYSA-N
XLogP3.01
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-bromofuran-2-yl)oxolane-2-carboxylic acid
CID 130585143
trans-(1R,2R)-2-(4-bromophenyl)cyclohexane-1-carboxylic acid
CID 71385887
2-(3-bromofuran-2-yl)-1,3-thiazinane-4-carboxylic acid
CID 106885903
2-(5-bromo-2-fluorophenyl)cyclopentane-1-carboxylic acid
CID 81007752
2-(3-bromofuran-2-yl)-N-ethylcycloheptan-1-amine
CID 63942073
2-(3-bromo-2,6-difluorophenyl)cycloheptane-1-carboxylic acid
CID 106943848
2-(2,6-difluorophenyl)cyclopentane-1-carboxylic acid
CID 81008993
[6-(3-bromofuran-2-yl)oxan-2-yl]methanol
CID 130584323
2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103979784
2-thiophen-2-ylcyclopentane-1-carboxylic acid
CID 81008433
4-[(3-bromofuran-2-yl)methyl-ethylamino]oxolane-3-carboxylic acid
CID 106889571
2-[4-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 81007862

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromofuran-2-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(3-bromofuran-2-yl)cyclopentane-1-carboxylic acid (CID 81009088) is 2-(3-bromofuran-2-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(3-bromofuran-2-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(3-bromofuran-2-yl)cyclopentane-1-carboxylic acid is O=C(O)C1CCCC1c1occc1Br.
What is the InChIKey of 2-(3-bromofuran-2-yl)cyclopentane-1-carboxylic acid?
The InChIKey is DVMPTTWBYVZLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c11-8-4-5-14-9(8)6-2-1-3-7(6)10(12)13/h4-7H,1-3H2,(H,12,13).
What are the key properties of 2-(3-bromofuran-2-yl)cyclopentane-1-carboxylic acid?
2-(3-bromofuran-2-yl)cyclopentane-1-carboxylic acid has a molecular weight of 259.10 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromofuran-2-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81009088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).