(2-bromo-3-chloro-6-fluorophenyl)-cyclopropylmethanol

C10H9BrClFO — CID 171366108

IUPAC(2-bromo-3-chloro-6-fluorophenyl)-cyclopropylmethanol
SMILESOC(c1c(F)ccc(Cl)c1Br)C1CC1
InChIInChI=1S/C10H9BrClFO/c11-9-6(12)3-4-7(13)8(9)10(14)5-1-2-5/h3-5,10,14H,1-2H2
InChIKeyRJODVFKQJBSZDU-UHFFFAOYSA-N
MW279.54 g/mol
LogP3.68
Rot. Bonds2

About (2-bromo-3-chloro-6-fluorophenyl)-cyclopropylmethanol

(2-bromo-3-chloro-6-fluorophenyl)-cyclopropylmethanol (PubChem CID 171366108) has the molecular formula C10H9BrClFO and a molecular weight of 279.54 g/mol. Its IUPAC name is (2-bromo-3-chloro-6-fluorophenyl)-cyclopropylmethanol.

Molecular Properties

Compound Name(2-bromo-3-chloro-6-fluorophenyl)-cyclopropylmethanol
PubChem CID171366108
Molecular FormulaC10H9BrClFO
Molecular Weight279.54 g/mol
Exact Mass277.95
IUPAC Name(2-bromo-3-chloro-6-fluorophenyl)-cyclopropylmethanol
SMILESOC(c1c(F)ccc(Cl)c1Br)C1CC1
InChIInChI=1S/C10H9BrClFO/c11-9-6(12)3-4-7(13)8(9)10(14)5-1-2-5/h3-5,10,14H,1-2H2
InChIKeyRJODVFKQJBSZDU-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.54
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-3-chloro-6-fluorophenyl)-cyclopropylmethanol?
The IUPAC name of (2-bromo-3-chloro-6-fluorophenyl)-cyclopropylmethanol (CID 171366108) is (2-bromo-3-chloro-6-fluorophenyl)-cyclopropylmethanol.
What is the SMILES notation for (2-bromo-3-chloro-6-fluorophenyl)-cyclopropylmethanol?
The canonical SMILES for (2-bromo-3-chloro-6-fluorophenyl)-cyclopropylmethanol is OC(c1c(F)ccc(Cl)c1Br)C1CC1.
What is the InChIKey of (2-bromo-3-chloro-6-fluorophenyl)-cyclopropylmethanol?
The InChIKey is RJODVFKQJBSZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClFO/c11-9-6(12)3-4-7(13)8(9)10(14)5-1-2-5/h3-5,10,14H,1-2H2.
What are the key properties of (2-bromo-3-chloro-6-fluorophenyl)-cyclopropylmethanol?
(2-bromo-3-chloro-6-fluorophenyl)-cyclopropylmethanol has a molecular weight of 279.54 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-3-chloro-6-fluorophenyl)-cyclopropylmethanol is sourced from PubChem (CID 171366108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).