2-methyl-N-(2,3,5-trifluorophenyl)oxolan-3-amine

C11H12F3NO — CID 82727725

IUPAC2-methyl-N-(2,3,5-trifluorophenyl)oxolan-3-amine
SMILESCC1OCCC1Nc1cc(F)cc(F)c1F
InChIInChI=1S/C11H12F3NO/c1-6-9(2-3-16-6)15-10-5-7(12)4-8(13)11(10)14/h4-6,9,15H,2-3H2,1H3
InChIKeyWKVOJOHTXXYGGO-UHFFFAOYSA-N
MW231.22 g/mol
LogP2.69
Rot. Bonds2

About 2-methyl-N-(2,3,5-trifluorophenyl)oxolan-3-amine

2-methyl-N-(2,3,5-trifluorophenyl)oxolan-3-amine (PubChem CID 82727725) has the molecular formula C11H12F3NO and a molecular weight of 231.22 g/mol. Its IUPAC name is 2-methyl-N-(2,3,5-trifluorophenyl)oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(2,3,5-trifluorophenyl)oxolan-3-amine
PubChem CID82727725
Molecular FormulaC11H12F3NO
Molecular Weight231.22 g/mol
Exact Mass231.09
IUPAC Name2-methyl-N-(2,3,5-trifluorophenyl)oxolan-3-amine
SMILESCC1OCCC1Nc1cc(F)cc(F)c1F
InChIInChI=1S/C11H12F3NO/c1-6-9(2-3-16-6)15-10-5-7(12)4-8(13)11(10)14/h4-6,9,15H,2-3H2,1H3
InChIKeyWKVOJOHTXXYGGO-UHFFFAOYSA-N
XLogP2.69
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(2,3,5,6-tetrafluorophenyl)oxolan-3-amine
CID 107643833
N-(2-fluoro-5-methylphenyl)-2-methyloxolan-3-amine
CID 75525387
(2R,3S)-N-(2-fluoro-4-methylphenyl)-2-methyloxolan-3-amine
CID 97358584
N-(2,3,5-trifluorophenyl)oxan-4-amine
CID 62810329
N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine
CID 75525403
(2R,3S)-N-(3-fluoro-5-methylphenyl)-2-methyloxolan-3-amine
CID 97358660
2-(2,3,5-trifluoroanilino)cyclohexan-1-ol
CID 55118688
2,3,5-trifluoro-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662479
N-[2-fluoro-4-(trifluoromethyl)phenyl]-2-methyloxolan-3-amine
CID 103873048
(2R,3R)-N-(3,4-difluorophenyl)-2-methyloxolan-3-amine
CID 97358475
N-(4-bromo-2,6-difluorophenyl)-2-methyloxolan-3-amine
CID 82717356
2,4-difluoro-5-[(2-methyloxolan-3-yl)amino]benzamide
CID 82727285

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,3,5-trifluorophenyl)oxolan-3-amine?
The IUPAC name of 2-methyl-N-(2,3,5-trifluorophenyl)oxolan-3-amine (CID 82727725) is 2-methyl-N-(2,3,5-trifluorophenyl)oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-(2,3,5-trifluorophenyl)oxolan-3-amine?
The canonical SMILES for 2-methyl-N-(2,3,5-trifluorophenyl)oxolan-3-amine is CC1OCCC1Nc1cc(F)cc(F)c1F.
What is the InChIKey of 2-methyl-N-(2,3,5-trifluorophenyl)oxolan-3-amine?
The InChIKey is WKVOJOHTXXYGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO/c1-6-9(2-3-16-6)15-10-5-7(12)4-8(13)11(10)14/h4-6,9,15H,2-3H2,1H3.
What are the key properties of 2-methyl-N-(2,3,5-trifluorophenyl)oxolan-3-amine?
2-methyl-N-(2,3,5-trifluorophenyl)oxolan-3-amine has a molecular weight of 231.22 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,3,5-trifluorophenyl)oxolan-3-amine is sourced from PubChem (CID 82727725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).