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

C10H9BrClFO — CID 106761352

IUPAC(4-bromo-3-chloro-2-fluorophenyl)-cyclopropylmethanol
SMILESOC(c1ccc(Br)c(Cl)c1F)C1CC1
InChIInChI=1S/C10H9BrClFO/c11-7-4-3-6(9(13)8(7)12)10(14)5-1-2-5/h3-5,10,14H,1-2H2
InChIKeyBVWNRZJVVHRHCX-UHFFFAOYSA-N
MW279.54 g/mol
LogP3.68
Rot. Bonds2

About (4-bromo-3-chloro-2-fluorophenyl)-cyclopropylmethanol

(4-bromo-3-chloro-2-fluorophenyl)-cyclopropylmethanol (PubChem CID 106761352) has the molecular formula C10H9BrClFO and a molecular weight of 279.54 g/mol. Its IUPAC name is (4-bromo-3-chloro-2-fluorophenyl)-cyclopropylmethanol.

Molecular Properties

Compound Name(4-bromo-3-chloro-2-fluorophenyl)-cyclopropylmethanol
PubChem CID106761352
Molecular FormulaC10H9BrClFO
Molecular Weight279.54 g/mol
Exact Mass277.95
IUPAC Name(4-bromo-3-chloro-2-fluorophenyl)-cyclopropylmethanol
SMILESOC(c1ccc(Br)c(Cl)c1F)C1CC1
InChIInChI=1S/C10H9BrClFO/c11-7-4-3-6(9(13)8(7)12)10(14)5-1-2-5/h3-5,10,14H,1-2H2
InChIKeyBVWNRZJVVHRHCX-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_2', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanol
CID 106762057
1-(4-bromo-3-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol
CID 106765072
(4-bromo-3-chloro-2-fluorophenyl)-(3-methyloxan-4-yl)methanol
CID 114242073
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfanylethanol
CID 106762014
(4-bromo-3-chloro-2-fluorophenyl)-(2,4,5-trimethyloxolan-3-yl)methanol
CID 106765094
4-[(4-bromo-3-chloro-2-fluorophenyl)-fluoromethyl]piperidine
CID 106763888
1-[(4-bromo-3-chloro-2-fluorophenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
CID 106762198
(4-bromo-3-chloro-2-fluorophenyl)-(4-bromo-2-fluorophenyl)methanol
CID 106761336
1-(4-bromo-3-chloro-2-fluorophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-ol
CID 106765023
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfonylethanol
CID 106765069
1-(4-bromo-3-chloro-2-fluorophenyl)hexan-1-ol
CID 106761382
(2-chloro-4-fluorophenyl)-cyclopropylmethanol
CID 58392404

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-cyclopropylmethanol?
The IUPAC name of (4-bromo-3-chloro-2-fluorophenyl)-cyclopropylmethanol (CID 106761352) is (4-bromo-3-chloro-2-fluorophenyl)-cyclopropylmethanol.
What is the SMILES notation for (4-bromo-3-chloro-2-fluorophenyl)-cyclopropylmethanol?
The canonical SMILES for (4-bromo-3-chloro-2-fluorophenyl)-cyclopropylmethanol is OC(c1ccc(Br)c(Cl)c1F)C1CC1.
What is the InChIKey of (4-bromo-3-chloro-2-fluorophenyl)-cyclopropylmethanol?
The InChIKey is BVWNRZJVVHRHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClFO/c11-7-4-3-6(9(13)8(7)12)10(14)5-1-2-5/h3-5,10,14H,1-2H2.
What are the key properties of (4-bromo-3-chloro-2-fluorophenyl)-cyclopropylmethanol?
(4-bromo-3-chloro-2-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 (4-bromo-3-chloro-2-fluorophenyl)-cyclopropylmethanol is sourced from PubChem (CID 106761352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).