5-chloro-2-(3,3,3-trifluoropropoxy)aniline

C9H9ClF3NO — CID 62056679

IUPAC5-chloro-2-(3,3,3-trifluoropropoxy)aniline
SMILESNc1cc(Cl)ccc1OCCC(F)(F)F
InChIInChI=1S/C9H9ClF3NO/c10-6-1-2-8(7(14)5-6)15-4-3-9(11,12)13/h1-2,5H,3-4,14H2
InChIKeyGYXRXOPFHFMXKR-UHFFFAOYSA-N
MW239.62 g/mol
LogP3.25
Rot. Bonds3

About 5-chloro-2-(3,3,3-trifluoropropoxy)aniline

5-chloro-2-(3,3,3-trifluoropropoxy)aniline (PubChem CID 62056679) has the molecular formula C9H9ClF3NO and a molecular weight of 239.62 g/mol. Its IUPAC name is 5-chloro-2-(3,3,3-trifluoropropoxy)aniline.

Molecular Properties

Compound Name5-chloro-2-(3,3,3-trifluoropropoxy)aniline
PubChem CID62056679
Molecular FormulaC9H9ClF3NO
Molecular Weight239.62 g/mol
Exact Mass239.03
IUPAC Name5-chloro-2-(3,3,3-trifluoropropoxy)aniline
SMILESNc1cc(Cl)ccc1OCCC(F)(F)F
InChIInChI=1S/C9H9ClF3NO/c10-6-1-2-8(7(14)5-6)15-4-3-9(11,12)13/h1-2,5H,3-4,14H2
InChIKeyGYXRXOPFHFMXKR-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.62
LogP ≤ 53.25
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

4-(2-amino-4-chlorophenoxy)-2-methylbutan-2-ol
CID 79360783
5-chloro-2-(3,3,3-trifluoropropoxy)benzenecarbothioamide
CID 82955460
5-chloro-2-(3,3,3-trifluoropropoxy)benzaldehyde
CID 60772707
5-chloro-2-(3,3,3-trifluoropropoxy)benzenesulfonamide
CID 64567349
5-chloro-2-[2-(4-chlorophenoxy)ethoxy]aniline
CID 39418964
5-chloro-2-(3,3,3-trifluoropropoxymethyl)aniline
CID 82955578
1-[5-chloro-2-(3,3,3-trifluoropropoxy)phenyl]-N-methylmethanamine
CID 64554992
5-chloro-2-decoxyaniline
CID 55187694
5-chloro-2-(2-methylsulfonylethoxy)aniline
CID 56828923
2-(2-amino-4-chlorophenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 54962260
4-(3,3,3-trifluoropropoxy)naphthalen-1-amine
CID 64552253
3-amino-4-(4,4,4-trifluorobutoxy)benzonitrile
CID 113326203

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3,3,3-trifluoropropoxy)aniline?
The IUPAC name of 5-chloro-2-(3,3,3-trifluoropropoxy)aniline (CID 62056679) is 5-chloro-2-(3,3,3-trifluoropropoxy)aniline.
What is the SMILES notation for 5-chloro-2-(3,3,3-trifluoropropoxy)aniline?
The canonical SMILES for 5-chloro-2-(3,3,3-trifluoropropoxy)aniline is Nc1cc(Cl)ccc1OCCC(F)(F)F.
What is the InChIKey of 5-chloro-2-(3,3,3-trifluoropropoxy)aniline?
The InChIKey is GYXRXOPFHFMXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClF3NO/c10-6-1-2-8(7(14)5-6)15-4-3-9(11,12)13/h1-2,5H,3-4,14H2.
What are the key properties of 5-chloro-2-(3,3,3-trifluoropropoxy)aniline?
5-chloro-2-(3,3,3-trifluoropropoxy)aniline has a molecular weight of 239.62 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3,3,3-trifluoropropoxy)aniline is sourced from PubChem (CID 62056679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).