N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-difluoroethanamine

C8H13F2NO — CID 75481269

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-difluoroethanamine
SMILESFC(F)CNCC1CCC=CO1
InChIInChI=1S/C8H13F2NO/c9-8(10)6-11-5-7-3-1-2-4-12-7/h2,4,7-8,11H,1,3,5-6H2
InChIKeyMFTQTZREHFMMFE-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.53
Rot. Bonds4

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-difluoroethanamine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-difluoroethanamine (PubChem CID 75481269) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-difluoroethanamine
PubChem CID75481269
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-difluoroethanamine
SMILESFC(F)CNCC1CCC=CO1
InChIInChI=1S/C8H13F2NO/c9-8(10)6-11-5-7-3-1-2-4-12-7/h2,4,7-8,11H,1,3,5-6H2
InChIKeyMFTQTZREHFMMFE-UHFFFAOYSA-N
XLogP1.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-difluoroethanamine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-difluoroethanamine (CID 75481269) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-difluoroethanamine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-difluoroethanamine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-difluoroethanamine is FC(F)CNCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-difluoroethanamine?
The InChIKey is MFTQTZREHFMMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c9-8(10)6-11-5-7-3-1-2-4-12-7/h2,4,7-8,11H,1,3,5-6H2.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-difluoroethanamine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-difluoroethanamine has a molecular weight of 177.19 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-difluoroethanamine is sourced from PubChem (CID 75481269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).