3-propoxy-4-(trifluoromethyl)aniline

C10H12F3NO — CID 20755030

IUPAC3-propoxy-4-(trifluoromethyl)aniline
SMILESCCCOc1cc(N)ccc1C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-2-5-15-9-6-7(14)3-4-8(9)10(11,12)13/h3-4,6H,2,5,14H2,1H3
InChIKeyCQPWYHUYUPUMKU-UHFFFAOYSA-N
MW219.21 g/mol
LogP3.08
Rot. Bonds3

About 3-propoxy-4-(trifluoromethyl)aniline

3-propoxy-4-(trifluoromethyl)aniline (PubChem CID 20755030) has the molecular formula C10H12F3NO and a molecular weight of 219.21 g/mol. Its IUPAC name is 3-propoxy-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-propoxy-4-(trifluoromethyl)aniline
PubChem CID20755030
Molecular FormulaC10H12F3NO
Molecular Weight219.21 g/mol
Exact Mass219.09
IUPAC Name3-propoxy-4-(trifluoromethyl)aniline
SMILESCCCOc1cc(N)ccc1C(F)(F)F
InChIInChI=1S/C10H12F3NO/c1-2-5-15-9-6-7(14)3-4-8(9)10(11,12)13/h3-4,6H,2,5,14H2,1H3
InChIKeyCQPWYHUYUPUMKU-UHFFFAOYSA-N
XLogP3.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-propoxy-4-(trifluoromethyl)aniline?
The IUPAC name of 3-propoxy-4-(trifluoromethyl)aniline (CID 20755030) is 3-propoxy-4-(trifluoromethyl)aniline.
What is the SMILES notation for 3-propoxy-4-(trifluoromethyl)aniline?
The canonical SMILES for 3-propoxy-4-(trifluoromethyl)aniline is CCCOc1cc(N)ccc1C(F)(F)F.
What is the InChIKey of 3-propoxy-4-(trifluoromethyl)aniline?
The InChIKey is CQPWYHUYUPUMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO/c1-2-5-15-9-6-7(14)3-4-8(9)10(11,12)13/h3-4,6H,2,5,14H2,1H3.
What are the key properties of 3-propoxy-4-(trifluoromethyl)aniline?
3-propoxy-4-(trifluoromethyl)aniline has a molecular weight of 219.21 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-4-(trifluoromethyl)aniline is sourced from PubChem (CID 20755030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).