N-[(5-methyloxolan-2-yl)methyl]-2-(trifluoromethoxy)aniline

C13H16F3NO2 — CID 82833774

IUPACN-[(5-methyloxolan-2-yl)methyl]-2-(trifluoromethoxy)aniline
SMILESCC1CCC(CNc2ccccc2OC(F)(F)F)O1
InChIInChI=1S/C13H16F3NO2/c1-9-6-7-10(18-9)8-17-11-4-2-3-5-12(11)19-13(14,15)16/h2-5,9-10,17H,6-8H2,1H3
InChIKeyFSAUPYQWUNAXQH-UHFFFAOYSA-N
MW275.27 g/mol
LogP3.56
Rot. Bonds4

About N-[(5-methyloxolan-2-yl)methyl]-2-(trifluoromethoxy)aniline

N-[(5-methyloxolan-2-yl)methyl]-2-(trifluoromethoxy)aniline (PubChem CID 82833774) has the molecular formula C13H16F3NO2 and a molecular weight of 275.27 g/mol. Its IUPAC name is N-[(5-methyloxolan-2-yl)methyl]-2-(trifluoromethoxy)aniline.

Molecular Properties

Compound NameN-[(5-methyloxolan-2-yl)methyl]-2-(trifluoromethoxy)aniline
PubChem CID82833774
Molecular FormulaC13H16F3NO2
Molecular Weight275.27 g/mol
Exact Mass275.11
IUPAC NameN-[(5-methyloxolan-2-yl)methyl]-2-(trifluoromethoxy)aniline
SMILESCC1CCC(CNc2ccccc2OC(F)(F)F)O1
InChIInChI=1S/C13H16F3NO2/c1-9-6-7-10(18-9)8-17-11-4-2-3-5-12(11)19-13(14,15)16/h2-5,9-10,17H,6-8H2,1H3
InChIKeyFSAUPYQWUNAXQH-UHFFFAOYSA-N
XLogP3.56
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-2-(trifluoromethoxy)aniline
CID 43560291
N-[(5-methyloxolan-2-yl)methyl]-2-(trifluoromethylsulfanyl)aniline
CID 82834612
2-(ethoxymethyl)-N-[(5-methyloxolan-2-yl)methyl]aniline
CID 82836648
2-(trifluoromethoxy)-N-[2-(trifluoromethoxy)phenyl]aniline
CID 87491554
N-[(5-methyloxolan-2-yl)methyl]-2-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 82834712
N-(cyclopropylmethyl)-2-[2-(trifluoromethoxy)anilino]acetamide
CID 28577768
N-[(5-methyloxolan-2-yl)methyl]-4-(2,2,2-trifluoroethoxy)aniline
CID 82834997
N-[(3-methylfuran-2-yl)methyl]-2-(trifluoromethoxy)aniline
CID 115743509
3-methoxy-N-[(5-methyloxolan-2-yl)methyl]aniline
CID 82833864
methyl 2-[2-(trifluoromethoxy)anilino]acetate
CID 28577783
2,6-dibromo-N-[(5-methyloxolan-2-yl)methyl]aniline
CID 107597405
N-(2-ethylbutyl)-2-(trifluoromethoxy)aniline
CID 29300715

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-2-(trifluoromethoxy)aniline?
The IUPAC name of N-[(5-methyloxolan-2-yl)methyl]-2-(trifluoromethoxy)aniline (CID 82833774) is N-[(5-methyloxolan-2-yl)methyl]-2-(trifluoromethoxy)aniline.
What is the SMILES notation for N-[(5-methyloxolan-2-yl)methyl]-2-(trifluoromethoxy)aniline?
The canonical SMILES for N-[(5-methyloxolan-2-yl)methyl]-2-(trifluoromethoxy)aniline is CC1CCC(CNc2ccccc2OC(F)(F)F)O1.
What is the InChIKey of N-[(5-methyloxolan-2-yl)methyl]-2-(trifluoromethoxy)aniline?
The InChIKey is FSAUPYQWUNAXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2/c1-9-6-7-10(18-9)8-17-11-4-2-3-5-12(11)19-13(14,15)16/h2-5,9-10,17H,6-8H2,1H3.
What are the key properties of N-[(5-methyloxolan-2-yl)methyl]-2-(trifluoromethoxy)aniline?
N-[(5-methyloxolan-2-yl)methyl]-2-(trifluoromethoxy)aniline has a molecular weight of 275.27 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyloxolan-2-yl)methyl]-2-(trifluoromethoxy)aniline is sourced from PubChem (CID 82833774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).