1-(aminomethyl)-N-(2,2-difluoroethyl)-3-ethoxycyclobutan-1-amine

C9H18F2N2O — CID 106822244

IUPAC1-(aminomethyl)-N-(2,2-difluoroethyl)-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(CN)(NCC(F)F)C1
InChIInChI=1S/C9H18F2N2O/c1-2-14-7-3-9(4-7,6-12)13-5-8(10)11/h7-8,13H,2-6,12H2,1H3
InChIKeyVAEOICBGKUCDIE-UHFFFAOYSA-N
MW208.25 g/mol
LogP0.74
Rot. Bonds6

About 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-ethoxycyclobutan-1-amine

1-(aminomethyl)-N-(2,2-difluoroethyl)-3-ethoxycyclobutan-1-amine (PubChem CID 106822244) has the molecular formula C9H18F2N2O and a molecular weight of 208.25 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-ethoxycyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,2-difluoroethyl)-3-ethoxycyclobutan-1-amine
PubChem CID106822244
Molecular FormulaC9H18F2N2O
Molecular Weight208.25 g/mol
Exact Mass208.14
IUPAC Name1-(aminomethyl)-N-(2,2-difluoroethyl)-3-ethoxycyclobutan-1-amine
SMILESCCOC1CC(CN)(NCC(F)F)C1
InChIInChI=1S/C9H18F2N2O/c1-2-14-7-3-9(4-7,6-12)13-5-8(10)11/h7-8,13H,2-6,12H2,1H3
InChIKeyVAEOICBGKUCDIE-UHFFFAOYSA-N
XLogP0.74
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.25
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-4-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62446167
4-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 65377803
4-(aminomethyl)-2-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 65378224
N-methyl-1-[3-(3,3,3-trifluoropropoxy)cyclobutyl]methanamine
CID 65990467
N-tert-butyl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine
CID 66274457
N-tert-butyl-4-(2,2-difluoroethoxy)pentan-1-amine
CID 82007232
N-tert-butyl-4-(4,4,4-trifluorobutoxy)pentan-1-amine
CID 82791600
N-tert-butyl-4-(3,3,3-trifluoropropoxy)pentan-1-amine
CID 82957489
N-tert-butyl-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-amine
CID 102723172
2-methyl-N-[2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethyl]propan-2-amine
CID 103274228
N-[2-[1-(2,2-difluoroethoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine
CID 103274351
2-methyl-N-[2-[1-(4,4,4-trifluorobutoxy)cyclobutyl]ethyl]propan-2-amine
CID 103274365

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-ethoxycyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-ethoxycyclobutan-1-amine (CID 106822244) is 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-ethoxycyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-ethoxycyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-ethoxycyclobutan-1-amine is CCOC1CC(CN)(NCC(F)F)C1.
What is the InChIKey of 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-ethoxycyclobutan-1-amine?
The InChIKey is VAEOICBGKUCDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O/c1-2-14-7-3-9(4-7,6-12)13-5-8(10)11/h7-8,13H,2-6,12H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-ethoxycyclobutan-1-amine?
1-(aminomethyl)-N-(2,2-difluoroethyl)-3-ethoxycyclobutan-1-amine has a molecular weight of 208.25 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-ethoxycyclobutan-1-amine is sourced from PubChem (CID 106822244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).