[4-(difluoromethoxy)oxan-4-yl]methanamine

C7H13F2NO2 — CID 65051766

IUPAC[4-(difluoromethoxy)oxan-4-yl]methanamine
SMILESNCC1(OC(F)F)CCOCC1
InChIInChI=1S/C7H13F2NO2/c8-6(9)12-7(5-10)1-3-11-4-2-7/h6H,1-5,10H2
InChIKeyJGDICUDVHSDOPK-UHFFFAOYSA-N
MW181.18 g/mol
LogP0.73
Rot. Bonds3

About [4-(difluoromethoxy)oxan-4-yl]methanamine

[4-(difluoromethoxy)oxan-4-yl]methanamine (PubChem CID 65051766) has the molecular formula C7H13F2NO2 and a molecular weight of 181.18 g/mol. Its IUPAC name is [4-(difluoromethoxy)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(difluoromethoxy)oxan-4-yl]methanamine
PubChem CID65051766
Molecular FormulaC7H13F2NO2
Molecular Weight181.18 g/mol
Exact Mass181.09
IUPAC Name[4-(difluoromethoxy)oxan-4-yl]methanamine
SMILESNCC1(OC(F)F)CCOCC1
InChIInChI=1S/C7H13F2NO2/c8-6(9)12-7(5-10)1-3-11-4-2-7/h6H,1-5,10H2
InChIKeyJGDICUDVHSDOPK-UHFFFAOYSA-N
XLogP0.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(difluoromethyl)oxan-4-yl]methanamine
CID 130738015
1-[4-(aminomethyl)oxan-4-yl]oxypropan-2-ol
CID 65051975
2-[4-(aminomethyl)oxan-4-yl]oxy-N-propylpropanamide
CID 65051383
(4-propoxyoxan-4-yl)methanamine
CID 65051760
2-[4-(aminomethyl)oxan-4-yl]oxy-N-pentan-3-ylpropanamide
CID 65051437
3-[4-(aminomethyl)oxan-4-yl]oxypropane-1,2-diol
CID 82842314
[4-(2-methylpentoxy)oxan-4-yl]methanamine
CID 65051545
[4-(cyclopropylmethoxy)oxan-4-yl]methanamine
CID 65051703
2-[4-(aminomethyl)oxan-4-yl]oxy-N,N-dimethylethanamine
CID 65052190
[4-(trifluoromethyl)oxan-4-yl]methanamine
CID 82601558
[4-[2-(3-methylbutoxy)ethoxy]oxan-4-yl]methanamine
CID 65051978
[4-[(4-fluorophenyl)methoxy]oxan-4-yl]methanamine
CID 65051707

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)oxan-4-yl]methanamine?
The IUPAC name of [4-(difluoromethoxy)oxan-4-yl]methanamine (CID 65051766) is [4-(difluoromethoxy)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(difluoromethoxy)oxan-4-yl]methanamine?
The canonical SMILES for [4-(difluoromethoxy)oxan-4-yl]methanamine is NCC1(OC(F)F)CCOCC1.
What is the InChIKey of [4-(difluoromethoxy)oxan-4-yl]methanamine?
The InChIKey is JGDICUDVHSDOPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2/c8-6(9)12-7(5-10)1-3-11-4-2-7/h6H,1-5,10H2.
What are the key properties of [4-(difluoromethoxy)oxan-4-yl]methanamine?
[4-(difluoromethoxy)oxan-4-yl]methanamine has a molecular weight of 181.18 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)oxan-4-yl]methanamine is sourced from PubChem (CID 65051766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).