N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2-difluoroethanamine

C8H13F2NO — CID 97300300

IUPACN-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2-difluoroethanamine
SMILESFC(F)CNC[C@H]1CCC=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/t7-/m1/s1
InChIKeyMFTQTZREHFMMFE-SSDOTTSWSA-N
MW177.19 g/mol
LogP1.53
Rot. Bonds4

About N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2-difluoroethanamine

N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2-difluoroethanamine (PubChem CID 97300300) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2-difluoroethanamine.

Molecular Properties

Compound NameN-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2-difluoroethanamine
PubChem CID97300300
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC NameN-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2-difluoroethanamine
SMILESFC(F)CNC[C@H]1CCC=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/t7-/m1/s1
InChIKeyMFTQTZREHFMMFE-SSDOTTSWSA-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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Related Compounds

(3,4-Dihydro-2H-pyran-2-ylmethyl)-methyl-amine
CID 60136051
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoro-N-methylethanamine
CID 153410073
N-(2,3-dihydrofuran-2-ylmethyl)-1,1,1-trifluoromethanamine
CID 154936959
1-(3,4-dihydro-2H-pyran-2-yl)-2,2,2-trifluoro-N-methylethanamine
CID 55297095
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2,2-trifluoroethanamine
CID 62064871
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-3,3,3-trifluoropropan-1-amine
CID 63226222
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 63828549
(2,2-difluoroethyl)(3,4-dihydro-2H-pyran-2-ylmethyl)amine
CID 75481269
N-[[(2S)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2-difluoroethanamine
CID 97300301
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-4,4,4-trifluorobutan-2-amine
CID 102613521
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210664
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2-(trifluoromethylsulfanyl)ethanamine
CID 107094653

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2-difluoroethanamine?
The IUPAC name of N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2-difluoroethanamine (CID 97300300) is N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2-difluoroethanamine.
What is the SMILES notation for N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2-difluoroethanamine?
The canonical SMILES for N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2-difluoroethanamine is FC(F)CNC[C@H]1CCC=CO1.
What is the InChIKey of N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2-difluoroethanamine?
The InChIKey is MFTQTZREHFMMFE-SSDOTTSWSA-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/t7-/m1/s1.
What are the key properties of N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2-difluoroethanamine?
N-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-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-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2-difluoroethanamine is sourced from PubChem (CID 97300300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).