N-(2,6-difluoro-3-methylphenyl)oxolan-3-amine

C11H13F2NO — CID 82818446

IUPACN-(2,6-difluoro-3-methylphenyl)oxolan-3-amine
SMILESCc1ccc(F)c(NC2CCOC2)c1F
InChIInChI=1S/C11H13F2NO/c1-7-2-3-9(12)11(10(7)13)14-8-4-5-15-6-8/h2-3,8,14H,4-6H2,1H3
InChIKeyMWZNCJGMJSNWOA-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.47
Rot. Bonds2

About N-(2,6-difluoro-3-methylphenyl)oxolan-3-amine

N-(2,6-difluoro-3-methylphenyl)oxolan-3-amine (PubChem CID 82818446) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is N-(2,6-difluoro-3-methylphenyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(2,6-difluoro-3-methylphenyl)oxolan-3-amine
PubChem CID82818446
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC NameN-(2,6-difluoro-3-methylphenyl)oxolan-3-amine
SMILESCc1ccc(F)c(NC2CCOC2)c1F
InChIInChI=1S/C11H13F2NO/c1-7-2-3-9(12)11(10(7)13)14-8-4-5-15-6-8/h2-3,8,14H,4-6H2,1H3
InChIKeyMWZNCJGMJSNWOA-UHFFFAOYSA-N
XLogP2.47
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-methylphenyl)oxolan-3-amine?
The IUPAC name of N-(2,6-difluoro-3-methylphenyl)oxolan-3-amine (CID 82818446) is N-(2,6-difluoro-3-methylphenyl)oxolan-3-amine.
What is the SMILES notation for N-(2,6-difluoro-3-methylphenyl)oxolan-3-amine?
The canonical SMILES for N-(2,6-difluoro-3-methylphenyl)oxolan-3-amine is Cc1ccc(F)c(NC2CCOC2)c1F.
What is the InChIKey of N-(2,6-difluoro-3-methylphenyl)oxolan-3-amine?
The InChIKey is MWZNCJGMJSNWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c1-7-2-3-9(12)11(10(7)13)14-8-4-5-15-6-8/h2-3,8,14H,4-6H2,1H3.
What are the key properties of N-(2,6-difluoro-3-methylphenyl)oxolan-3-amine?
N-(2,6-difluoro-3-methylphenyl)oxolan-3-amine has a molecular weight of 213.23 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-methylphenyl)oxolan-3-amine is sourced from PubChem (CID 82818446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).