N-[1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoroethyl]propan-1-amine

C10H17F2NO — CID 103517265

IUPACN-[1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoroethyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C(F)F
InChIInChI=1S/C10H17F2NO/c1-2-6-13-9(10(11)12)8-5-3-4-7-14-8/h5,9-10,13H,2-4,6-7H2,1H3
InChIKeySUMYZNIBSOAFAR-UHFFFAOYSA-N
MW205.25 g/mol
LogP2.31
Rot. Bonds5

About N-[1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoroethyl]propan-1-amine

N-[1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoroethyl]propan-1-amine (PubChem CID 103517265) 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-6-yl)-2,2-difluoroethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoroethyl]propan-1-amine
PubChem CID103517265
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC NameN-[1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoroethyl]propan-1-amine
SMILESCCCNC(C1=CCCCO1)C(F)F
InChIInChI=1S/C10H17F2NO/c1-2-6-13-9(10(11)12)8-5-3-4-7-14-8/h5,9-10,13H,2-4,6-7H2,1H3
InChIKeySUMYZNIBSOAFAR-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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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoroethyl]propan-1-amine?
The IUPAC name of N-[1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoroethyl]propan-1-amine (CID 103517265) is N-[1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoroethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoroethyl]propan-1-amine?
The canonical SMILES for N-[1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoroethyl]propan-1-amine is CCCNC(C1=CCCCO1)C(F)F.
What is the InChIKey of N-[1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoroethyl]propan-1-amine?
The InChIKey is SUMYZNIBSOAFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-2-6-13-9(10(11)12)8-5-3-4-7-14-8/h5,9-10,13H,2-4,6-7H2,1H3.
What are the key properties of N-[1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoroethyl]propan-1-amine?
N-[1-(3,4-dihydro-2H-pyran-6-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-6-yl)-2,2-difluoroethyl]propan-1-amine is sourced from PubChem (CID 103517265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).