3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol

C9H14F3NO2 — CID 107094668

IUPAC3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCC1CCC=CO1)C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)8(14)6-13-5-7-3-1-2-4-15-7/h2,4,7-8,13-14H,1,3,5-6H2
InChIKeyRXBPTERVHHWNTC-UHFFFAOYSA-N
MW225.21 g/mol
LogP1.19
Rot. Bonds4

About 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol

3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 107094668) has the molecular formula C9H14F3NO2 and a molecular weight of 225.21 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID107094668
Molecular FormulaC9H14F3NO2
Molecular Weight225.21 g/mol
Exact Mass225.10
IUPAC Name3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCC1CCC=CO1)C(F)(F)F
InChIInChI=1S/C9H14F3NO2/c10-9(11,12)8(14)6-13-5-7-3-1-2-4-15-7/h2,4,7-8,13-14H,1,3,5-6H2
InChIKeyRXBPTERVHHWNTC-UHFFFAOYSA-N
XLogP1.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.21
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol with MolForge

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Related Compounds

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-[[(2R)-3,4-dihydro-2H-pyran-2-yl]methyl]-2,2-difluoroethanamine
CID 97300300
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
1,1,1-Trifluoro-3-(hept-6-enylamino)propan-2-ol
CID 105644805
1,1-Difluoro-3-(hept-6-enylamino)propan-2-ol
CID 105645178
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210664
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1,1-difluoropropan-2-ol
CID 107095093

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol (CID 107094668) is 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol is OC(CNCC1CCC=CO1)C(F)(F)F.
What is the InChIKey of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is RXBPTERVHHWNTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO2/c10-9(11,12)8(14)6-13-5-7-3-1-2-4-15-7/h2,4,7-8,13-14H,1,3,5-6H2.
What are the key properties of 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol?
3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 225.21 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 107094668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).