2-(cyclopropylidenemethyl)-4-(trifluoromethoxy)aniline

C11H10F3NO — CID 89386220

IUPAC2-(cyclopropylidenemethyl)-4-(trifluoromethoxy)aniline
SMILESNc1ccc(OC(F)(F)F)cc1C=C1CC1
InChIInChI=1S/C11H10F3NO/c12-11(13,14)16-9-3-4-10(15)8(6-9)5-7-1-2-7/h3-6H,1-2,15H2
InChIKeyGFLCCARTLXHBGI-UHFFFAOYSA-N
MW229.20 g/mol
LogP3.34
Rot. Bonds2

About 2-(cyclopropylidenemethyl)-4-(trifluoromethoxy)aniline

2-(cyclopropylidenemethyl)-4-(trifluoromethoxy)aniline (PubChem CID 89386220) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 2-(cyclopropylidenemethyl)-4-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name2-(cyclopropylidenemethyl)-4-(trifluoromethoxy)aniline
PubChem CID89386220
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name2-(cyclopropylidenemethyl)-4-(trifluoromethoxy)aniline
SMILESNc1ccc(OC(F)(F)F)cc1C=C1CC1
InChIInChI=1S/C11H10F3NO/c12-11(13,14)16-9-3-4-10(15)8(6-9)5-7-1-2-7/h3-6H,1-2,15H2
InChIKeyGFLCCARTLXHBGI-UHFFFAOYSA-N
XLogP3.34
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 53.34
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-amino-5-(trifluoromethoxy)phenyl]prop-2-enamide
CID 169482579
ethyl 3-[2-amino-5-(trifluoromethoxy)phenyl]prop-2-enoate
CID 90967171
3-[2-amino-4-(trifluoromethoxy)phenyl]prop-2-en-1-ol
CID 169454110
4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline
CID 59838870
4-[2-[4-(trifluoromethoxy)phenyl]ethenyl]aniline
CID 72575162
2-amino-4-(trifluoromethoxy)benzenethiol
CID 154381732
2-isocyano-4-(trifluoromethoxy)aniline
CID 168791198
2-(bromomethyl)-4-(trifluoromethoxy)aniline
CID 119013247
2-(difluoromethoxy)-4-(trifluoromethoxy)aniline
CID 134617226
1,4-bis[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzene
CID 23625072
3-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 169464324
2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912467

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylidenemethyl)-4-(trifluoromethoxy)aniline?
The IUPAC name of 2-(cyclopropylidenemethyl)-4-(trifluoromethoxy)aniline (CID 89386220) is 2-(cyclopropylidenemethyl)-4-(trifluoromethoxy)aniline.
What is the SMILES notation for 2-(cyclopropylidenemethyl)-4-(trifluoromethoxy)aniline?
The canonical SMILES for 2-(cyclopropylidenemethyl)-4-(trifluoromethoxy)aniline is Nc1ccc(OC(F)(F)F)cc1C=C1CC1.
What is the InChIKey of 2-(cyclopropylidenemethyl)-4-(trifluoromethoxy)aniline?
The InChIKey is GFLCCARTLXHBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c12-11(13,14)16-9-3-4-10(15)8(6-9)5-7-1-2-7/h3-6H,1-2,15H2.
What are the key properties of 2-(cyclopropylidenemethyl)-4-(trifluoromethoxy)aniline?
2-(cyclopropylidenemethyl)-4-(trifluoromethoxy)aniline has a molecular weight of 229.20 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylidenemethyl)-4-(trifluoromethoxy)aniline is sourced from PubChem (CID 89386220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).