[2-[(2,4-difluorophenyl)methyl]oxolan-2-yl]methanamine

C12H15F2NO — CID 176776912

IUPAC[2-[(2,4-difluorophenyl)methyl]oxolan-2-yl]methanamine
SMILESNCC1(Cc2ccc(F)cc2F)CCCO1
InChIInChI=1S/C12H15F2NO/c13-10-3-2-9(11(14)6-10)7-12(8-15)4-1-5-16-12/h2-3,6H,1,4-5,7-8,15H2
InChIKeyLVECWJDHKMZXRX-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.02
Rot. Bonds3

About [2-[(2,4-difluorophenyl)methyl]oxolan-2-yl]methanamine

[2-[(2,4-difluorophenyl)methyl]oxolan-2-yl]methanamine (PubChem CID 176776912) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is [2-[(2,4-difluorophenyl)methyl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[2-[(2,4-difluorophenyl)methyl]oxolan-2-yl]methanamine
PubChem CID176776912
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name[2-[(2,4-difluorophenyl)methyl]oxolan-2-yl]methanamine
SMILESNCC1(Cc2ccc(F)cc2F)CCCO1
InChIInChI=1S/C12H15F2NO/c13-10-3-2-9(11(14)6-10)7-12(8-15)4-1-5-16-12/h2-3,6H,1,4-5,7-8,15H2
InChIKeyLVECWJDHKMZXRX-UHFFFAOYSA-N
XLogP2.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-difluorophenyl)methyl]oxolan-2-yl]methanamine?
The IUPAC name of [2-[(2,4-difluorophenyl)methyl]oxolan-2-yl]methanamine (CID 176776912) is [2-[(2,4-difluorophenyl)methyl]oxolan-2-yl]methanamine.
What is the SMILES notation for [2-[(2,4-difluorophenyl)methyl]oxolan-2-yl]methanamine?
The canonical SMILES for [2-[(2,4-difluorophenyl)methyl]oxolan-2-yl]methanamine is NCC1(Cc2ccc(F)cc2F)CCCO1.
What is the InChIKey of [2-[(2,4-difluorophenyl)methyl]oxolan-2-yl]methanamine?
The InChIKey is LVECWJDHKMZXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-10-3-2-9(11(14)6-10)7-12(8-15)4-1-5-16-12/h2-3,6H,1,4-5,7-8,15H2.
What are the key properties of [2-[(2,4-difluorophenyl)methyl]oxolan-2-yl]methanamine?
[2-[(2,4-difluorophenyl)methyl]oxolan-2-yl]methanamine has a molecular weight of 227.25 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-difluorophenyl)methyl]oxolan-2-yl]methanamine is sourced from PubChem (CID 176776912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).