(2,2-difluorocyclopropyl)-methoxymethanamine

C5H9F2NO — CID 134455963

IUPAC(2,2-difluorocyclopropyl)-methoxymethanamine
SMILESCOC(N)C1CC1(F)F
InChIInChI=1S/C5H9F2NO/c1-9-4(8)3-2-5(3,6)7/h3-4H,2,8H2,1H3
InChIKeyDAYKMRALXMLABQ-UHFFFAOYSA-N
MW137.13 g/mol
LogP0.57
Rot. Bonds2

About (2,2-difluorocyclopropyl)-methoxymethanamine

(2,2-difluorocyclopropyl)-methoxymethanamine (PubChem CID 134455963) has the molecular formula C5H9F2NO and a molecular weight of 137.13 g/mol. Its IUPAC name is (2,2-difluorocyclopropyl)-methoxymethanamine.

Molecular Properties

Compound Name(2,2-difluorocyclopropyl)-methoxymethanamine
PubChem CID134455963
Molecular FormulaC5H9F2NO
Molecular Weight137.13 g/mol
Exact Mass137.07
IUPAC Name(2,2-difluorocyclopropyl)-methoxymethanamine
SMILESCOC(N)C1CC1(F)F
InChIInChI=1S/C5H9F2NO/c1-9-4(8)3-2-5(3,6)7/h3-4H,2,8H2,1H3
InChIKeyDAYKMRALXMLABQ-UHFFFAOYSA-N
XLogP0.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.13
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-1-(2,2,2-trifluoroethoxy)butan-1-amine
CID 123923046
Methoxy-[1-(trifluoromethyl)cyclopropyl]methanamine
CID 146427393
1-(Trifluoromethoxy)butan-1-amine
CID 158341195
(1S)-3-methyl-1-(trifluoromethoxy)butan-1-amine
CID 177117874
(1S)-1-(difluoromethoxy)-3-methylbutan-1-amine
CID 177282070
4-Methoxy-2-(trifluoromethyl)butan-1-amine
CID 82534369
4,4,4-Trifluoro-2-(methoxymethyl)butan-1-amine
CID 82534532
2-(Difluoromethoxymethyl)butan-1-amine
CID 84716515
4,4,4-Trifluoro-3-(methoxymethyl)butan-1-amine
CID 115013825
3-[(2,2-Difluorocyclopropyl)methoxy]propan-1-amine
CID 126845181
Cyclopropyl(methoxy)methanamine
CID 130390412
(S)-cyclopropyl(methoxy)methanamine
CID 163414817

Frequently Asked Questions

What is the IUPAC name of (2,2-difluorocyclopropyl)-methoxymethanamine?
The IUPAC name of (2,2-difluorocyclopropyl)-methoxymethanamine (CID 134455963) is (2,2-difluorocyclopropyl)-methoxymethanamine.
What is the SMILES notation for (2,2-difluorocyclopropyl)-methoxymethanamine?
The canonical SMILES for (2,2-difluorocyclopropyl)-methoxymethanamine is COC(N)C1CC1(F)F.
What is the InChIKey of (2,2-difluorocyclopropyl)-methoxymethanamine?
The InChIKey is DAYKMRALXMLABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO/c1-9-4(8)3-2-5(3,6)7/h3-4H,2,8H2,1H3.
What are the key properties of (2,2-difluorocyclopropyl)-methoxymethanamine?
(2,2-difluorocyclopropyl)-methoxymethanamine has a molecular weight of 137.13 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorocyclopropyl)-methoxymethanamine is sourced from PubChem (CID 134455963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).