N-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethyl]propan-1-amine

C10H17F2NO — CID 103517059

IUPACN-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethyl]propan-1-amine
SMILESCCCNC(C1=COCCC1)C(F)F
InChIInChI=1S/C10H17F2NO/c1-2-5-13-9(10(11)12)8-4-3-6-14-7-8/h7,9-10,13H,2-6H2,1H3
InChIKeyOHGCUYQYNBTYKT-UHFFFAOYSA-N
MW205.25 g/mol
LogP2.31
Rot. Bonds5

About N-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethyl]propan-1-amine

N-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethyl]propan-1-amine (PubChem CID 103517059) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is N-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethyl]propan-1-amine
PubChem CID103517059
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC NameN-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethyl]propan-1-amine
SMILESCCCNC(C1=COCCC1)C(F)F
InChIInChI=1S/C10H17F2NO/c1-2-5-13-9(10(11)12)8-4-3-6-14-7-8/h7,9-10,13H,2-6H2,1H3
InChIKeyOHGCUYQYNBTYKT-UHFFFAOYSA-N
XLogP2.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 52.31
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-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
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475828

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethyl]propan-1-amine?
The IUPAC name of N-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethyl]propan-1-amine (CID 103517059) is N-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethyl]propan-1-amine?
The canonical SMILES for N-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethyl]propan-1-amine is CCCNC(C1=COCCC1)C(F)F.
What is the InChIKey of N-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethyl]propan-1-amine?
The InChIKey is OHGCUYQYNBTYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-2-5-13-9(10(11)12)8-4-3-6-14-7-8/h7,9-10,13H,2-6H2,1H3.
What are the key properties of N-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethyl]propan-1-amine?
N-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethyl]propan-1-amine has a molecular weight of 205.25 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dihydro-2H-pyran-5-yl)-2,2-difluoroethyl]propan-1-amine is sourced from PubChem (CID 103517059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).