(3,4-difluorophenyl)-(2,5-dimethylfuran-3-yl)methanamine

C13H13F2NO — CID 43464169

IUPAC(3,4-difluorophenyl)-(2,5-dimethylfuran-3-yl)methanamine
SMILESCc1cc(C(N)c2ccc(F)c(F)c2)c(C)o1
InChIInChI=1S/C13H13F2NO/c1-7-5-10(8(2)17-7)13(16)9-3-4-11(14)12(15)6-9/h3-6,13H,16H2,1-2H3
InChIKeyUKTJWOSTMNHKPY-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.22
Rot. Bonds2

About (3,4-difluorophenyl)-(2,5-dimethylfuran-3-yl)methanamine

(3,4-difluorophenyl)-(2,5-dimethylfuran-3-yl)methanamine (PubChem CID 43464169) has the molecular formula C13H13F2NO and a molecular weight of 237.25 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(2,5-dimethylfuran-3-yl)methanamine.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(2,5-dimethylfuran-3-yl)methanamine
PubChem CID43464169
Molecular FormulaC13H13F2NO
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name(3,4-difluorophenyl)-(2,5-dimethylfuran-3-yl)methanamine
SMILESCc1cc(C(N)c2ccc(F)c(F)c2)c(C)o1
InChIInChI=1S/C13H13F2NO/c1-7-5-10(8(2)17-7)13(16)9-3-4-11(14)12(15)6-9/h3-6,13H,16H2,1-2H3
InChIKeyUKTJWOSTMNHKPY-UHFFFAOYSA-N
XLogP3.22
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(2,5-dimethylfuran-3-yl)methanamine?
The IUPAC name of (3,4-difluorophenyl)-(2,5-dimethylfuran-3-yl)methanamine (CID 43464169) is (3,4-difluorophenyl)-(2,5-dimethylfuran-3-yl)methanamine.
What is the SMILES notation for (3,4-difluorophenyl)-(2,5-dimethylfuran-3-yl)methanamine?
The canonical SMILES for (3,4-difluorophenyl)-(2,5-dimethylfuran-3-yl)methanamine is Cc1cc(C(N)c2ccc(F)c(F)c2)c(C)o1.
What is the InChIKey of (3,4-difluorophenyl)-(2,5-dimethylfuran-3-yl)methanamine?
The InChIKey is UKTJWOSTMNHKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO/c1-7-5-10(8(2)17-7)13(16)9-3-4-11(14)12(15)6-9/h3-6,13H,16H2,1-2H3.
What are the key properties of (3,4-difluorophenyl)-(2,5-dimethylfuran-3-yl)methanamine?
(3,4-difluorophenyl)-(2,5-dimethylfuran-3-yl)methanamine has a molecular weight of 237.25 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(2,5-dimethylfuran-3-yl)methanamine is sourced from PubChem (CID 43464169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).