ethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine

C13H27F2NO — CID 166534171

IUPACethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine
SMILESCC.CCN(CC(C)(F)F)CC1(COC)CC1
InChIInChI=1S/C11H21F2NO.C2H6/c1-4-14(7-10(2,12)13)8-11(5-6-11)9-15-3;1-2/h4-9H2,1-3H3;1-2H3
InChIKeyQFKQBBVCWCILGV-UHFFFAOYSA-N
MW251.36 g/mol
LogP3.42
Rot. Bonds7

About ethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine

ethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine (PubChem CID 166534171) has the molecular formula C13H27F2NO and a molecular weight of 251.36 g/mol. Its IUPAC name is ethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine.

Molecular Properties

Compound Nameethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine
PubChem CID166534171
Molecular FormulaC13H27F2NO
Molecular Weight251.36 g/mol
Exact Mass251.21
IUPAC Nameethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine
SMILESCC.CCN(CC(C)(F)F)CC1(COC)CC1
InChIInChI=1S/C11H21F2NO.C2H6/c1-4-14(7-10(2,12)13)8-11(5-6-11)9-15-3;1-2/h4-9H2,1-3H3;1-2H3
InChIKeyQFKQBBVCWCILGV-UHFFFAOYSA-N
XLogP3.42
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.36
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine?
The IUPAC name of ethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine (CID 166534171) is ethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine.
What is the SMILES notation for ethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine?
The canonical SMILES for ethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine is CC.CCN(CC(C)(F)F)CC1(COC)CC1.
What is the InChIKey of ethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine?
The InChIKey is QFKQBBVCWCILGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO.C2H6/c1-4-14(7-10(2,12)13)8-11(5-6-11)9-15-3;1-2/h4-9H2,1-3H3;1-2H3.
What are the key properties of ethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine?
ethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine has a molecular weight of 251.36 g/mol, XLogP of 3.42, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-2,2-difluoro-N-[[1-(methoxymethyl)cyclopropyl]methyl]propan-1-amine is sourced from PubChem (CID 166534171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).