1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoro-N-methylethanamine

C8H13F2NO — CID 103517062

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoro-N-methylethanamine
SMILESCNC(C1=COCCC1)C(F)F
InChIInChI=1S/C8H13F2NO/c1-11-7(8(9)10)6-3-2-4-12-5-6/h5,7-8,11H,2-4H2,1H3
InChIKeyGRXIHQIWRSKMLN-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.53
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoro-N-methylethanamine

1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoro-N-methylethanamine (PubChem CID 103517062) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoro-N-methylethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoro-N-methylethanamine
PubChem CID103517062
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoro-N-methylethanamine
SMILESCNC(C1=COCCC1)C(F)F
InChIInChI=1S/C8H13F2NO/c1-11-7(8(9)10)6-3-2-4-12-5-6/h5,7-8,11H,2-4H2,1H3
InChIKeyGRXIHQIWRSKMLN-UHFFFAOYSA-N
XLogP1.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoroethan-1-amine
CID 55283616
1-(3,4-dihydro-2H-pyran-5-yl)-2,2,2-trifluoro-N-methylethanamine
CID 55297096
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148624
1-(3,4-dihydro-2H-pyran-5-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148776
3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylpropan-1-amine
CID 103149395
3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylpropan-1-amine
CID 103149719
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216168
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216172
N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethyl]propan-1-amine
CID 103216174
1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-propyl-2-(trifluoromethyl)propan-1-amine
CID 103312261
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoro-2-(trifluoromethyl)propan-1-amine
CID 103312262
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475600

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoro-N-methylethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoro-N-methylethanamine (CID 103517062) is 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoro-N-methylethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoro-N-methylethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoro-N-methylethanamine is CNC(C1=COCCC1)C(F)F.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoro-N-methylethanamine?
The InChIKey is GRXIHQIWRSKMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-11-7(8(9)10)6-3-2-4-12-5-6/h5,7-8,11H,2-4H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoro-N-methylethanamine?
1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoro-N-methylethanamine has a molecular weight of 177.19 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoro-N-methylethanamine is sourced from PubChem (CID 103517062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).