[3-(difluoromethyl)-1-methoxycyclobutyl]methanamine

C7H13F2NO — CID 155822407

IUPAC[3-(difluoromethyl)-1-methoxycyclobutyl]methanamine
SMILESCOC1(CN)CC(C(F)F)C1
InChIInChI=1S/C7H13F2NO/c1-11-7(4-10)2-5(3-7)6(8)9/h5-6H,2-4,10H2,1H3
InChIKeyFALMPWSYKJBHQT-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.01
Rot. Bonds3

About [3-(difluoromethyl)-1-methoxycyclobutyl]methanamine

[3-(difluoromethyl)-1-methoxycyclobutyl]methanamine (PubChem CID 155822407) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is [3-(difluoromethyl)-1-methoxycyclobutyl]methanamine.

Molecular Properties

Compound Name[3-(difluoromethyl)-1-methoxycyclobutyl]methanamine
PubChem CID155822407
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name[3-(difluoromethyl)-1-methoxycyclobutyl]methanamine
SMILESCOC1(CN)CC(C(F)F)C1
InChIInChI=1S/C7H13F2NO/c1-11-7(4-10)2-5(3-7)6(8)9/h5-6H,2-4,10H2,1H3
InChIKeyFALMPWSYKJBHQT-UHFFFAOYSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1-methoxy-3,3-dimethylcyclobutyl)methanamine
CID 127007242
(1-methoxycyclobutyl)methanamine
CID 66072375
(1-methoxy-3-methylcyclohexyl)methanamine
CID 15495984
(4-methoxythian-4-yl)methanamine
CID 66072794
(4-methoxypiperidin-4-yl)methanamine
CID 84648969
(4-methoxy-1-propan-2-ylpiperidin-4-yl)methanamine
CID 83907040
(1-methoxy-4-propylcyclohexyl)methanamine
CID 62107282
(3-methoxypyrrolidin-3-yl)methanamine
CID 19694993
(4-methoxyazepan-4-yl)methanamine
CID 105431048
2-[(2S,6R)-4-methoxy-2,6-dimethyloxan-4-yl]ethanamine
CID 83907096
(4-methoxythiepan-4-yl)methanamine
CID 105436308
methyl 3-(aminomethyl)-3-methoxypyrrolidine-1-carboxylate
CID 83907150

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethyl)-1-methoxycyclobutyl]methanamine?
The IUPAC name of [3-(difluoromethyl)-1-methoxycyclobutyl]methanamine (CID 155822407) is [3-(difluoromethyl)-1-methoxycyclobutyl]methanamine.
What is the SMILES notation for [3-(difluoromethyl)-1-methoxycyclobutyl]methanamine?
The canonical SMILES for [3-(difluoromethyl)-1-methoxycyclobutyl]methanamine is COC1(CN)CC(C(F)F)C1.
What is the InChIKey of [3-(difluoromethyl)-1-methoxycyclobutyl]methanamine?
The InChIKey is FALMPWSYKJBHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-11-7(4-10)2-5(3-7)6(8)9/h5-6H,2-4,10H2,1H3.
What are the key properties of [3-(difluoromethyl)-1-methoxycyclobutyl]methanamine?
[3-(difluoromethyl)-1-methoxycyclobutyl]methanamine has a molecular weight of 165.18 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethyl)-1-methoxycyclobutyl]methanamine is sourced from PubChem (CID 155822407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).