1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoropropan-1-amine

C8H13F2NO — CID 130605236

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoropropan-1-amine
SMILESCC(F)(F)C(N)C1=COCCC1
InChIInChI=1S/C8H13F2NO/c1-8(9,10)7(11)6-3-2-4-12-5-6/h5,7H,2-4,11H2,1H3
InChIKeyYOHQBOUVJCVZJM-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.66
Rot. Bonds2

About 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoropropan-1-amine

1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoropropan-1-amine (PubChem CID 130605236) 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-difluoropropan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoropropan-1-amine
PubChem CID130605236
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoropropan-1-amine
SMILESCC(F)(F)C(N)C1=COCCC1
InChIInChI=1S/C8H13F2NO/c1-8(9,10)7(11)6-3-2-4-12-5-6/h5,7H,2-4,11H2,1H3
InChIKeyYOHQBOUVJCVZJM-UHFFFAOYSA-N
XLogP1.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.66
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)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103148161
3-(2,2-difluoroethoxy)-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-amine
CID 103149061
1-(3,4-dihydro-2H-pyran-5-yl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103216169
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2,2-difluoroethanamine
CID 103517060
1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethan-1-amine
CID 103517061
1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoro-N-methylethanamine
CID 103517062
1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoropropan-1-amine
CID 104058657
1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 104058658
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3,3,3-trifluoropropan-1-amine
CID 104058659
1-(3,4-dihydro-2H-pyran-5-yl)-3,3,3-trifluoro-N-propylpropan-1-amine
CID 104058660

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoropropan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoropropan-1-amine (CID 130605236) is 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoropropan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoropropan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoropropan-1-amine is CC(F)(F)C(N)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoropropan-1-amine?
The InChIKey is YOHQBOUVJCVZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-8(9,10)7(11)6-3-2-4-12-5-6/h5,7H,2-4,11H2,1H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoropropan-1-amine?
1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoropropan-1-amine has a molecular weight of 177.19 g/mol, XLogP of 1.66, 2 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-difluoropropan-1-amine is sourced from PubChem (CID 130605236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).