(5-chlorofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine

C12H10ClF2NO — CID 106684492

IUPAC(5-chlorofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
SMILESCc1cc(C(N)c2ccc(Cl)o2)c(F)cc1F
InChIInChI=1S/C12H10ClF2NO/c1-6-4-7(9(15)5-8(6)14)12(16)10-2-3-11(13)17-10/h2-5,12H,16H2,1H3
InChIKeyIQPYHMNBOCGQBT-UHFFFAOYSA-N
MW257.67 g/mol
LogP3.57
Rot. Bonds2

About (5-chlorofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine

(5-chlorofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine (PubChem CID 106684492) has the molecular formula C12H10ClF2NO and a molecular weight of 257.67 g/mol. Its IUPAC name is (5-chlorofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine.

Molecular Properties

Compound Name(5-chlorofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
PubChem CID106684492
Molecular FormulaC12H10ClF2NO
Molecular Weight257.67 g/mol
Exact Mass257.04
IUPAC Name(5-chlorofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
SMILESCc1cc(C(N)c2ccc(Cl)o2)c(F)cc1F
InChIInChI=1S/C12H10ClF2NO/c1-6-4-7(9(15)5-8(6)14)12(16)10-2-3-11(13)17-10/h2-5,12H,16H2,1H3
InChIKeyIQPYHMNBOCGQBT-UHFFFAOYSA-N
XLogP3.57
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.67
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-chlorofuran-2-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 106691945
(5-chloro-1-benzofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 105045726
2-[bromo-(2,5-difluoro-4-methylphenyl)methyl]-5-chlorofuran
CID 106689180
(2-chloro-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 105397363
1-benzofuran-2-yl-(2,4-difluoro-5-methylphenyl)methanamine
CID 105043942
(5-chlorofuran-2-yl)-(3,5-difluorophenyl)methanamine
CID 106691928
6-[amino-(5-chlorofuran-2-yl)methyl]-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 106684062
(2-bromo-5-fluorophenyl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 79725047
(2,4-difluoro-5-methylphenyl)-(furan-3-yl)methanamine
CID 79724952
(4-chloro-2,5-difluorophenyl)-(5-ethylfuran-2-yl)methanamine
CID 82783479
(5-chloro-2-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 79746385
(2,4-difluoro-5-methylphenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038108

Frequently Asked Questions

What is the IUPAC name of (5-chlorofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine?
The IUPAC name of (5-chlorofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine (CID 106684492) is (5-chlorofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine.
What is the SMILES notation for (5-chlorofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine?
The canonical SMILES for (5-chlorofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine is Cc1cc(C(N)c2ccc(Cl)o2)c(F)cc1F.
What is the InChIKey of (5-chlorofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine?
The InChIKey is IQPYHMNBOCGQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2NO/c1-6-4-7(9(15)5-8(6)14)12(16)10-2-3-11(13)17-10/h2-5,12H,16H2,1H3.
What are the key properties of (5-chlorofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine?
(5-chlorofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine has a molecular weight of 257.67 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine is sourced from PubChem (CID 106684492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).