1-(4-bromo-3-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol

C12H13BrClFO — CID 106765072

IUPAC1-(4-bromo-3-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol
SMILESCC(C1CC1)C(O)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C12H13BrClFO/c1-6(7-2-3-7)12(16)8-4-5-9(13)10(14)11(8)15/h4-7,12,16H,2-3H2,1H3
InChIKeyOBBGQKYOTNGVFU-UHFFFAOYSA-N
MW307.59 g/mol
LogP4.32
Rot. Bonds3

About 1-(4-bromo-3-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol

1-(4-bromo-3-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol (PubChem CID 106765072) has the molecular formula C12H13BrClFO and a molecular weight of 307.59 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol
PubChem CID106765072
Molecular FormulaC12H13BrClFO
Molecular Weight307.59 g/mol
Exact Mass305.98
IUPAC Name1-(4-bromo-3-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol
SMILESCC(C1CC1)C(O)c1ccc(Br)c(Cl)c1F
InChIInChI=1S/C12H13BrClFO/c1-6(7-2-3-7)12(16)8-4-5-9(13)10(14)11(8)15/h4-7,12,16H,2-3H2,1H3
InChIKeyOBBGQKYOTNGVFU-UHFFFAOYSA-N
XLogP4.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.59
LogP ≤ 54.32
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)-cyclopropylmethanol
CID 106761352
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-pyridin-4-ylethanol
CID 106762011
(4-bromo-3-chloro-2-fluorophenyl)-(2,3-dihydro-1H-inden-2-yl)methanol
CID 106762057
1-[(4-bromo-3-chloro-2-fluorophenyl)-hydroxymethyl]-4-methylcyclohexan-1-ol
CID 106762198
(4-bromo-3-chloro-2-fluorophenyl)-(4-propan-2-ylthiadiazol-5-yl)methanol
CID 106765130
1-(4-bromo-3-chloro-2-fluorophenyl)-2-methylsulfanylethanol
CID 106762014
4-[(4-bromo-3-chloro-2-fluorophenyl)-fluoromethyl]piperidine
CID 106763888
7-bicyclo[4.1.0]heptanyl-(4-bromo-3-chloro-2-fluorophenyl)methanamine
CID 106764465
(4-bromo-3-chloro-2-fluorophenyl)-(3-methyloxan-4-yl)methanol
CID 114242073
(4-bromo-3-chloro-2-fluorophenyl)-(4-methylphenyl)methanol
CID 106761323
(4-bromo-2-chloro-3-fluorophenyl)methanediol
CID 170133724

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol?
The IUPAC name of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol (CID 106765072) is 1-(4-bromo-3-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol.
What is the SMILES notation for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol?
The canonical SMILES for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol is CC(C1CC1)C(O)c1ccc(Br)c(Cl)c1F.
What is the InChIKey of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol?
The InChIKey is OBBGQKYOTNGVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClFO/c1-6(7-2-3-7)12(16)8-4-5-9(13)10(14)11(8)15/h4-7,12,16H,2-3H2,1H3.
What are the key properties of 1-(4-bromo-3-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol?
1-(4-bromo-3-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol has a molecular weight of 307.59 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloro-2-fluorophenyl)-2-cyclopropylpropan-1-ol is sourced from PubChem (CID 106765072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).