N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-difluoropropan-2-amine

C9H17F2NO2 — CID 107386451

IUPACN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-difluoropropan-2-amine
SMILESCC(NCC1COC(C)(C)O1)C(F)F
InChIInChI=1S/C9H17F2NO2/c1-6(8(10)11)12-4-7-5-13-9(2,3)14-7/h6-8,12H,4-5H2,1-3H3
InChIKeyGVMPOICWWBNGQH-UHFFFAOYSA-N
MW209.24 g/mol
LogP1.38
Rot. Bonds4

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-difluoropropan-2-amine

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-difluoropropan-2-amine (PubChem CID 107386451) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-difluoropropan-2-amine.

Molecular Properties

Compound NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-difluoropropan-2-amine
PubChem CID107386451
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC NameN-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-difluoropropan-2-amine
SMILESCC(NCC1COC(C)(C)O1)C(F)F
InChIInChI=1S/C9H17F2NO2/c1-6(8(10)11)12-4-7-5-13-9(2,3)14-7/h6-8,12H,4-5H2,1-3H3
InChIKeyGVMPOICWWBNGQH-UHFFFAOYSA-N
XLogP1.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-difluoropropan-2-amine?
The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-difluoropropan-2-amine (CID 107386451) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-difluoropropan-2-amine.
What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-difluoropropan-2-amine?
The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-difluoropropan-2-amine is CC(NCC1COC(C)(C)O1)C(F)F.
What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-difluoropropan-2-amine?
The InChIKey is GVMPOICWWBNGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-6(8(10)11)12-4-7-5-13-9(2,3)14-7/h6-8,12H,4-5H2,1-3H3.
What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-difluoropropan-2-amine?
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-difluoropropan-2-amine has a molecular weight of 209.24 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-1,1-difluoropropan-2-amine is sourced from PubChem (CID 107386451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).