(4-bromo-2-fluorophenyl)methanol;1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-ol

C17H17Br2F2NO2 — CID 159320110

IUPAC(4-bromo-2-fluorophenyl)methanol;1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-ol
SMILESOC1CN(Cc2ccc(Br)cc2F)C1.OCc1ccc(Br)cc1F
InChIInChI=1S/C10H11BrFNO.C7H6BrFO/c11-8-2-1-7(10(12)3-8)4-13-5-9(14)6-13;8-6-2-1-5(4-10)7(9)3-6/h1-3,9,14H,4-6H2;1-3,10H,4H2
InChIKeyLDQPNSSUONPYOC-UHFFFAOYSA-N
MW465.13 g/mol
LogP3.85
Rot. Bonds3

About (4-bromo-2-fluorophenyl)methanol;1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-ol

(4-bromo-2-fluorophenyl)methanol;1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-ol (PubChem CID 159320110) has the molecular formula C17H17Br2F2NO2 and a molecular weight of 465.13 g/mol. Its IUPAC name is (4-bromo-2-fluorophenyl)methanol;1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-ol.

Molecular Properties

Compound Name(4-bromo-2-fluorophenyl)methanol;1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-ol
PubChem CID159320110
Molecular FormulaC17H17Br2F2NO2
Molecular Weight465.13 g/mol
Exact Mass462.96
IUPAC Name(4-bromo-2-fluorophenyl)methanol;1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-ol
SMILESOC1CN(Cc2ccc(Br)cc2F)C1.OCc1ccc(Br)cc1F
InChIInChI=1S/C10H11BrFNO.C7H6BrFO/c11-8-2-1-7(10(12)3-8)4-13-5-9(14)6-13;8-6-2-1-5(4-10)7(9)3-6/h1-3,9,14H,4-6H2;1-3,10H,4H2
InChIKeyLDQPNSSUONPYOC-UHFFFAOYSA-N
XLogP3.85
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.13
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-amine
CID 65245079
1-[(5-bromo-2-hydroxyphenyl)methyl]azetidin-3-ol
CID 121200307
1-[(4-bromo-2-fluorophenyl)methyl]-3-chloro-4-methylpiperidine
CID 102959961
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 60644953
(3R)-1-[(5-bromo-2-fluorophenyl)methyl]pyrrolidin-3-ol
CID 78963344
1-[(4-bromo-2-fluorophenyl)methyl]-N,N-dimethylpyrrolidin-3-amine
CID 63165088
4-[4-[(4-bromo-2-fluorophenyl)methyl]piperazin-1-yl]phenol
CID 8689938
[4-[[4-(4-bromo-2-fluorophenyl)piperazin-1-yl]methyl]-2-fluorophenyl]methanol
CID 166679156
[1-[(4-bromo-2-fluorophenyl)methyl]piperidin-4-yl]methanamine
CID 43438739
4-[(4-bromo-2-fluorophenyl)methyl]-2-(bromomethyl)morpholine
CID 81212861
1-[(4-bromo-2-fluorophenyl)methyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907180
1-[(4-bromo-2-fluorophenyl)methyl]piperidin-3-amine;hydrochloride
CID 119910008

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-fluorophenyl)methanol;1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-ol?
The IUPAC name of (4-bromo-2-fluorophenyl)methanol;1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-ol (CID 159320110) is (4-bromo-2-fluorophenyl)methanol;1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-ol.
What is the SMILES notation for (4-bromo-2-fluorophenyl)methanol;1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-ol?
The canonical SMILES for (4-bromo-2-fluorophenyl)methanol;1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-ol is OC1CN(Cc2ccc(Br)cc2F)C1.OCc1ccc(Br)cc1F.
What is the InChIKey of (4-bromo-2-fluorophenyl)methanol;1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-ol?
The InChIKey is LDQPNSSUONPYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO.C7H6BrFO/c11-8-2-1-7(10(12)3-8)4-13-5-9(14)6-13;8-6-2-1-5(4-10)7(9)3-6/h1-3,9,14H,4-6H2;1-3,10H,4H2.
What are the key properties of (4-bromo-2-fluorophenyl)methanol;1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-ol?
(4-bromo-2-fluorophenyl)methanol;1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-ol has a molecular weight of 465.13 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-fluorophenyl)methanol;1-[(4-bromo-2-fluorophenyl)methyl]azetidin-3-ol is sourced from PubChem (CID 159320110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).