7-fluoro-2-N,2-N-dimethyl-1,2,3,4-tetrahydrodibenzofuran-2,8-diamine

C14H17FN2O — CID 11110033

IUPAC7-fluoro-2-N,2-N-dimethyl-1,2,3,4-tetrahydrodibenzofuran-2,8-diamine
SMILESCN(C)C1CCc2oc3cc(F)c(N)cc3c2C1
InChIInChI=1S/C14H17FN2O/c1-17(2)8-3-4-13-9(5-8)10-6-12(16)11(15)7-14(10)18-13/h6-8H,3-5,16H2,1-2H3
InChIKeyLDNHXLBKRPMBOG-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.57
Rot. Bonds1

About 7-fluoro-2-N,2-N-dimethyl-1,2,3,4-tetrahydrodibenzofuran-2,8-diamine

7-fluoro-2-N,2-N-dimethyl-1,2,3,4-tetrahydrodibenzofuran-2,8-diamine (PubChem CID 11110033) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 7-fluoro-2-N,2-N-dimethyl-1,2,3,4-tetrahydrodibenzofuran-2,8-diamine.

Molecular Properties

Compound Name7-fluoro-2-N,2-N-dimethyl-1,2,3,4-tetrahydrodibenzofuran-2,8-diamine
PubChem CID11110033
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name7-fluoro-2-N,2-N-dimethyl-1,2,3,4-tetrahydrodibenzofuran-2,8-diamine
SMILESCN(C)C1CCc2oc3cc(F)c(N)cc3c2C1
InChIInChI=1S/C14H17FN2O/c1-17(2)8-3-4-13-9(5-8)10-6-12(16)11(15)7-14(10)18-13/h6-8H,3-5,16H2,1-2H3
InChIKeyLDNHXLBKRPMBOG-UHFFFAOYSA-N
XLogP2.57
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-N,2-N-dimethyl-1,2,3,4-tetrahydrodibenzofuran-2,8-diamine?
The IUPAC name of 7-fluoro-2-N,2-N-dimethyl-1,2,3,4-tetrahydrodibenzofuran-2,8-diamine (CID 11110033) is 7-fluoro-2-N,2-N-dimethyl-1,2,3,4-tetrahydrodibenzofuran-2,8-diamine.
What is the SMILES notation for 7-fluoro-2-N,2-N-dimethyl-1,2,3,4-tetrahydrodibenzofuran-2,8-diamine?
The canonical SMILES for 7-fluoro-2-N,2-N-dimethyl-1,2,3,4-tetrahydrodibenzofuran-2,8-diamine is CN(C)C1CCc2oc3cc(F)c(N)cc3c2C1.
What is the InChIKey of 7-fluoro-2-N,2-N-dimethyl-1,2,3,4-tetrahydrodibenzofuran-2,8-diamine?
The InChIKey is LDNHXLBKRPMBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-17(2)8-3-4-13-9(5-8)10-6-12(16)11(15)7-14(10)18-13/h6-8H,3-5,16H2,1-2H3.
What are the key properties of 7-fluoro-2-N,2-N-dimethyl-1,2,3,4-tetrahydrodibenzofuran-2,8-diamine?
7-fluoro-2-N,2-N-dimethyl-1,2,3,4-tetrahydrodibenzofuran-2,8-diamine has a molecular weight of 248.30 g/mol, XLogP of 2.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-N,2-N-dimethyl-1,2,3,4-tetrahydrodibenzofuran-2,8-diamine is sourced from PubChem (CID 11110033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).