(4-bromo-5-chloro-2-fluorophenyl)-(furan-3-yl)methanamine

C11H8BrClFNO — CID 105398463

IUPAC(4-bromo-5-chloro-2-fluorophenyl)-(furan-3-yl)methanamine
SMILESNC(c1ccoc1)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C11H8BrClFNO/c12-8-4-10(14)7(3-9(8)13)11(15)6-1-2-16-5-6/h1-5,11H,15H2
InChIKeyLMELVTDGKVNYBV-UHFFFAOYSA-N
MW304.55 g/mol
LogP3.88
Rot. Bonds2

About (4-bromo-5-chloro-2-fluorophenyl)-(furan-3-yl)methanamine

(4-bromo-5-chloro-2-fluorophenyl)-(furan-3-yl)methanamine (PubChem CID 105398463) has the molecular formula C11H8BrClFNO and a molecular weight of 304.55 g/mol. Its IUPAC name is (4-bromo-5-chloro-2-fluorophenyl)-(furan-3-yl)methanamine.

Molecular Properties

Compound Name(4-bromo-5-chloro-2-fluorophenyl)-(furan-3-yl)methanamine
PubChem CID105398463
Molecular FormulaC11H8BrClFNO
Molecular Weight304.55 g/mol
Exact Mass302.95
IUPAC Name(4-bromo-5-chloro-2-fluorophenyl)-(furan-3-yl)methanamine
SMILESNC(c1ccoc1)c1cc(Cl)c(Br)cc1F
InChIInChI=1S/C11H8BrClFNO/c12-8-4-10(14)7(3-9(8)13)11(15)6-1-2-16-5-6/h1-5,11H,15H2
InChIKeyLMELVTDGKVNYBV-UHFFFAOYSA-N
XLogP3.88
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.55
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4-bromo-5-chloro-2-fluorophenyl)-(4-bromophenyl)methanamine
CID 105398676
(2,4-difluoro-5-methylphenyl)-(furan-3-yl)methanamine
CID 79724952
(4-bromo-5-chloro-2-fluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 105398601
(4-bromo-5-chloro-2-fluorophenyl)-(2,4-difluorophenyl)methanamine
CID 105398640
(4-bromo-5-chloro-2-fluorophenyl)-(3-bromo-5-methylphenyl)methanamine
CID 105398591
(4-bromo-5-chloro-2-fluorophenyl)-(3-chloro-2-fluorophenyl)methanamine
CID 105398594
(3,5-dichlorophenyl)-(furan-3-yl)methanamine
CID 115855603
(4-bromo-5-chloro-2-fluorophenyl)-(3-propan-2-yloxyphenyl)methanamine
CID 105398664
(4-bromo-5-chloro-2-fluorophenyl)-(2-bromo-3-methylphenyl)methanamine
CID 107982138
(4-bromo-5-chloro-2-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 105398505
(2-chloro-4,5-dimethoxyphenyl)-(furan-3-yl)methanamine
CID 43384504
(4-bromo-5-chloro-2-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanamine
CID 105398478

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(furan-3-yl)methanamine?
The IUPAC name of (4-bromo-5-chloro-2-fluorophenyl)-(furan-3-yl)methanamine (CID 105398463) is (4-bromo-5-chloro-2-fluorophenyl)-(furan-3-yl)methanamine.
What is the SMILES notation for (4-bromo-5-chloro-2-fluorophenyl)-(furan-3-yl)methanamine?
The canonical SMILES for (4-bromo-5-chloro-2-fluorophenyl)-(furan-3-yl)methanamine is NC(c1ccoc1)c1cc(Cl)c(Br)cc1F.
What is the InChIKey of (4-bromo-5-chloro-2-fluorophenyl)-(furan-3-yl)methanamine?
The InChIKey is LMELVTDGKVNYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFNO/c12-8-4-10(14)7(3-9(8)13)11(15)6-1-2-16-5-6/h1-5,11H,15H2.
What are the key properties of (4-bromo-5-chloro-2-fluorophenyl)-(furan-3-yl)methanamine?
(4-bromo-5-chloro-2-fluorophenyl)-(furan-3-yl)methanamine has a molecular weight of 304.55 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-chloro-2-fluorophenyl)-(furan-3-yl)methanamine is sourced from PubChem (CID 105398463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).