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

C8H16F2N2O — CID 106822245

IUPAC1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methoxycyclobutan-1-amine
SMILESCOC1CC(CN)(NCC(F)F)C1
InChIInChI=1S/C8H16F2N2O/c1-13-6-2-8(3-6,5-11)12-4-7(9)10/h6-7,12H,2-5,11H2,1H3
InChIKeyRWUYTHJJVUICJP-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.35
Rot. Bonds5

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

1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methoxycyclobutan-1-amine (PubChem CID 106822245) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methoxycyclobutan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methoxycyclobutan-1-amine
PubChem CID106822245
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC Name1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methoxycyclobutan-1-amine
SMILESCOC1CC(CN)(NCC(F)F)C1
InChIInChI=1S/C8H16F2N2O/c1-13-6-2-8(3-6,5-11)12-4-7(9)10/h6-7,12H,2-5,11H2,1H3
InChIKeyRWUYTHJJVUICJP-UHFFFAOYSA-N
XLogP0.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-2-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 65377803
2-methyl-N-[2-[1-(1,1,1-trifluoropropan-2-yloxy)cyclobutyl]ethyl]propan-2-amine
CID 103274228
N,N-dimethyl-1-[[3-(2,2,2-trifluoroethoxy)propylamino]methyl]cyclobutan-1-amine
CID 105416442
N'-(3-ethoxy-2,2-dimethylcyclobutyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 105846222
N'-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 105846560
N'-(3-methoxycyclobutyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 105846820
3-Ethoxy-2,2-dimethyl-1-[(4,4,4-trifluorobutan-2-ylamino)methyl]cyclobutan-1-amine
CID 105946113
3-Ethoxy-2,2-dimethyl-1-[(2,2,3,3-tetrafluoropropylamino)methyl]cyclobutan-1-amine
CID 106293817
4-methoxy-4-methyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 106675747
2-N-(2,2-difluoroethyl)-4-methoxy-4-methylpentane-1,2-diamine
CID 106675782
[3-Ethoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine
CID 106821741
[3-Methoxy-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]cyclobutyl]methanamine
CID 106821742

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methoxycyclobutan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methoxycyclobutan-1-amine (CID 106822245) is 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methoxycyclobutan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methoxycyclobutan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methoxycyclobutan-1-amine is COC1CC(CN)(NCC(F)F)C1.
What is the InChIKey of 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methoxycyclobutan-1-amine?
The InChIKey is RWUYTHJJVUICJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O/c1-13-6-2-8(3-6,5-11)12-4-7(9)10/h6-7,12H,2-5,11H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methoxycyclobutan-1-amine?
1-(aminomethyl)-N-(2,2-difluoroethyl)-3-methoxycyclobutan-1-amine has a molecular weight of 194.22 g/mol, XLogP of 0.35, 5 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-methoxycyclobutan-1-amine is sourced from PubChem (CID 106822245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).