3-(2-fluoro-2-methylpropoxy)aniline

C10H14FNO — CID 84659068

IUPAC3-(2-fluoro-2-methylpropoxy)aniline
SMILESCC(C)(F)COc1cccc(N)c1
InChIInChI=1S/C10H14FNO/c1-10(2,11)7-13-9-5-3-4-8(12)6-9/h3-6H,7,12H2,1-2H3
InChIKeyYTINUCVVAXRREJ-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.40
Rot. Bonds3

About 3-(2-fluoro-2-methylpropoxy)aniline

3-(2-fluoro-2-methylpropoxy)aniline (PubChem CID 84659068) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 3-(2-fluoro-2-methylpropoxy)aniline.

Molecular Properties

Compound Name3-(2-fluoro-2-methylpropoxy)aniline
PubChem CID84659068
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name3-(2-fluoro-2-methylpropoxy)aniline
SMILESCC(C)(F)COc1cccc(N)c1
InChIInChI=1S/C10H14FNO/c1-10(2,11)7-13-9-5-3-4-8(12)6-9/h3-6H,7,12H2,1-2H3
InChIKeyYTINUCVVAXRREJ-UHFFFAOYSA-N
XLogP2.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecoxy)aniline
CID 91941222
3-[(2-methylpropan-2-yl)oxy]aniline
CID 19389149
3-[2-(3-tert-butylphenoxy)ethoxy]aniline
CID 39386100
3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]aniline
CID 60892118
ethane;3-prop-2-enoxyaniline
CID 143673688
3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline
CID 43366096
3-[3-[(2-methylpropan-2-yl)oxy]propoxy]aniline
CID 43366160
2-[3-(2-fluoro-2-methylpropoxy)phenyl]acetic acid
CID 84690473
3-(3-aminophenoxy)-1,1,1-trifluoropropan-2-ol
CID 63901721
2-(3-aminophenoxy)-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 61104642
[4-(2-fluoro-2-methylpropoxy)phenyl]methanamine
CID 84667770
3-(3-tert-butylsulfanylpropoxy)aniline
CID 43174528

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-2-methylpropoxy)aniline?
The IUPAC name of 3-(2-fluoro-2-methylpropoxy)aniline (CID 84659068) is 3-(2-fluoro-2-methylpropoxy)aniline.
What is the SMILES notation for 3-(2-fluoro-2-methylpropoxy)aniline?
The canonical SMILES for 3-(2-fluoro-2-methylpropoxy)aniline is CC(C)(F)COc1cccc(N)c1.
What is the InChIKey of 3-(2-fluoro-2-methylpropoxy)aniline?
The InChIKey is YTINUCVVAXRREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-10(2,11)7-13-9-5-3-4-8(12)6-9/h3-6H,7,12H2,1-2H3.
What are the key properties of 3-(2-fluoro-2-methylpropoxy)aniline?
3-(2-fluoro-2-methylpropoxy)aniline has a molecular weight of 183.23 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-2-methylpropoxy)aniline is sourced from PubChem (CID 84659068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).