1-(4-bromo-3,5-difluorophenyl)cyclopropane-1-carboxylic acid

C10H7BrF2O2 — CID 84811106

IUPAC1-(4-bromo-3,5-difluorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(F)c(Br)c(F)c2)CC1
InChIInChI=1S/C10H7BrF2O2/c11-8-6(12)3-5(4-7(8)13)10(1-2-10)9(14)15/h3-4H,1-2H2,(H,14,15)
InChIKeyNEEZYIDLQTYTEZ-UHFFFAOYSA-N
MW277.06 g/mol
LogP2.84
Rot. Bonds2

About 1-(4-bromo-3,5-difluorophenyl)cyclopropane-1-carboxylic acid

1-(4-bromo-3,5-difluorophenyl)cyclopropane-1-carboxylic acid (PubChem CID 84811106) has the molecular formula C10H7BrF2O2 and a molecular weight of 277.06 g/mol. Its IUPAC name is 1-(4-bromo-3,5-difluorophenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-bromo-3,5-difluorophenyl)cyclopropane-1-carboxylic acid
PubChem CID84811106
Molecular FormulaC10H7BrF2O2
Molecular Weight277.06 g/mol
Exact Mass275.96
IUPAC Name1-(4-bromo-3,5-difluorophenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(F)c(Br)c(F)c2)CC1
InChIInChI=1S/C10H7BrF2O2/c11-8-6(12)3-5(4-7(8)13)10(1-2-10)9(14)15/h3-4H,1-2H2,(H,14,15)
InChIKeyNEEZYIDLQTYTEZ-UHFFFAOYSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.06
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-amino-4,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117112290
1-(3-chloro-5-fluoro-4-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117333149
1-[4-(4-bromo-3-fluorophenyl)-3-fluorophenyl]cyclopropane-1-carboxylic acid
CID 11501240
1-(3,5-difluoro-4-hydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117393695
1-(2-bromo-4,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 117443504
1-(4-chloro-3-fluoro-5-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 117363594
5-(1-carboxycyclohexyl)-3-fluoro-2-hydroxybenzoic acid
CID 117453420
1-(2,4,6-trifluorophenyl)cyclopropane-1-carboxylic acid
CID 83412613
1-(4-bromo-3,5-difluorophenyl)cyclobutan-1-ol
CID 164896669
1-(4-bromo-2,3,5,6-tetrafluorophenyl)cyclopropane-1-carboxylic acid
CID 117112363
1-(3-bromo-4-hydroxy-5-methylphenyl)cyclopropane-1-carboxylic acid
CID 117430241
1-(3-fluoro-4-hydroxyphenyl)cyclopentane-1-carboxylic acid
CID 82617664

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3,5-difluorophenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(4-bromo-3,5-difluorophenyl)cyclopropane-1-carboxylic acid (CID 84811106) is 1-(4-bromo-3,5-difluorophenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(4-bromo-3,5-difluorophenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(4-bromo-3,5-difluorophenyl)cyclopropane-1-carboxylic acid is O=C(O)C1(c2cc(F)c(Br)c(F)c2)CC1.
What is the InChIKey of 1-(4-bromo-3,5-difluorophenyl)cyclopropane-1-carboxylic acid?
The InChIKey is NEEZYIDLQTYTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF2O2/c11-8-6(12)3-5(4-7(8)13)10(1-2-10)9(14)15/h3-4H,1-2H2,(H,14,15).
What are the key properties of 1-(4-bromo-3,5-difluorophenyl)cyclopropane-1-carboxylic acid?
1-(4-bromo-3,5-difluorophenyl)cyclopropane-1-carboxylic acid has a molecular weight of 277.06 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3,5-difluorophenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 84811106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).