2-fluoro-5-methyl-3-prop-1-en-2-yl-6-(trifluoromethyl)aniline

C11H11F4N — CID 177009836

IUPAC2-fluoro-5-methyl-3-prop-1-en-2-yl-6-(trifluoromethyl)aniline
SMILESC=C(C)c1cc(C)c(C(F)(F)F)c(N)c1F
InChIInChI=1S/C11H11F4N/c1-5(2)7-4-6(3)8(11(13,14)15)10(16)9(7)12/h4H,1,16H2,2-3H3
InChIKeyDQTQYFABFMZRPZ-UHFFFAOYSA-N
MW233.21 g/mol
LogP3.77
Rot. Bonds1

About 2-fluoro-5-methyl-3-prop-1-en-2-yl-6-(trifluoromethyl)aniline

2-fluoro-5-methyl-3-prop-1-en-2-yl-6-(trifluoromethyl)aniline (PubChem CID 177009836) has the molecular formula C11H11F4N and a molecular weight of 233.21 g/mol. Its IUPAC name is 2-fluoro-5-methyl-3-prop-1-en-2-yl-6-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-fluoro-5-methyl-3-prop-1-en-2-yl-6-(trifluoromethyl)aniline
PubChem CID177009836
Molecular FormulaC11H11F4N
Molecular Weight233.21 g/mol
Exact Mass233.08
IUPAC Name2-fluoro-5-methyl-3-prop-1-en-2-yl-6-(trifluoromethyl)aniline
SMILESC=C(C)c1cc(C)c(C(F)(F)F)c(N)c1F
InChIInChI=1S/C11H11F4N/c1-5(2)7-4-6(3)8(11(13,14)15)10(16)9(7)12/h4H,1,16H2,2-3H3
InChIKeyDQTQYFABFMZRPZ-UHFFFAOYSA-N
XLogP3.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-methyl-2,6-bis(prop-1-en-2-yl)aniline
CID 146613019
3-fluoro-6-prop-1-en-2-yl-2-(trifluoromethyl)aniline
CID 165144308
2-fluoro-5-methyl-3-prop-2-enyl-6-(trifluoromethyl)aniline
CID 177009503
3-amino-4-(2-cyanopropan-2-yl)-2-fluoro-5-methylbenzamide
CID 121330523
1-(2-amino-3-fluoro-4-methyl-5-prop-1-en-2-ylphenyl)ethanone
CID 143019246
2,4-dimethyl-6-prop-1-en-2-ylaniline
CID 144506945
methane;4-prop-1-en-2-yl-3-(trifluoromethyl)aniline
CID 153395488
ethane;1,2,4-trimethyl-5-prop-1-en-2-ylbenzene
CID 163218853
3-prop-1-en-2-yl-2-(trifluoromethyl)benzamide
CID 174876774
2,4-dimethyl-5-prop-1-en-2-ylaniline;ethane
CID 177043564
1,2,3,5-tetrafluoro-4-prop-1-en-2-yl-6-(trifluoromethyl)benzene
CID 166974166
2-amino-3-fluoro-4-hydroxy-5-methylbenzoic acid
CID 151763144

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-3-prop-1-en-2-yl-6-(trifluoromethyl)aniline?
The IUPAC name of 2-fluoro-5-methyl-3-prop-1-en-2-yl-6-(trifluoromethyl)aniline (CID 177009836) is 2-fluoro-5-methyl-3-prop-1-en-2-yl-6-(trifluoromethyl)aniline.
What is the SMILES notation for 2-fluoro-5-methyl-3-prop-1-en-2-yl-6-(trifluoromethyl)aniline?
The canonical SMILES for 2-fluoro-5-methyl-3-prop-1-en-2-yl-6-(trifluoromethyl)aniline is C=C(C)c1cc(C)c(C(F)(F)F)c(N)c1F.
What is the InChIKey of 2-fluoro-5-methyl-3-prop-1-en-2-yl-6-(trifluoromethyl)aniline?
The InChIKey is DQTQYFABFMZRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4N/c1-5(2)7-4-6(3)8(11(13,14)15)10(16)9(7)12/h4H,1,16H2,2-3H3.
What are the key properties of 2-fluoro-5-methyl-3-prop-1-en-2-yl-6-(trifluoromethyl)aniline?
2-fluoro-5-methyl-3-prop-1-en-2-yl-6-(trifluoromethyl)aniline has a molecular weight of 233.21 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-3-prop-1-en-2-yl-6-(trifluoromethyl)aniline is sourced from PubChem (CID 177009836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).