3-(1,2,2,3,3,3-hexafluoropropoxy)aniline

C9H7F6NO — CID 175221453

IUPAC3-(1,2,2,3,3,3-hexafluoropropoxy)aniline
SMILESNc1cccc(OC(F)C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C9H7F6NO/c10-7(8(11,12)9(13,14)15)17-6-3-1-2-5(16)4-6/h1-4,7H,16H2
InChIKeyOPAQYXSCBLFLBI-UHFFFAOYSA-N
MW259.15 g/mol
LogP3.14
Rot. Bonds3

About 3-(1,2,2,3,3,3-hexafluoropropoxy)aniline

3-(1,2,2,3,3,3-hexafluoropropoxy)aniline (PubChem CID 175221453) has the molecular formula C9H7F6NO and a molecular weight of 259.15 g/mol. Its IUPAC name is 3-(1,2,2,3,3,3-hexafluoropropoxy)aniline.

Molecular Properties

Compound Name3-(1,2,2,3,3,3-hexafluoropropoxy)aniline
PubChem CID175221453
Molecular FormulaC9H7F6NO
Molecular Weight259.15 g/mol
Exact Mass259.04
IUPAC Name3-(1,2,2,3,3,3-hexafluoropropoxy)aniline
SMILESNc1cccc(OC(F)C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C9H7F6NO/c10-7(8(11,12)9(13,14)15)17-6-3-1-2-5(16)4-6/h1-4,7H,16H2
InChIKeyOPAQYXSCBLFLBI-UHFFFAOYSA-N
XLogP3.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(1,2,2,3,3,3-hexafluoropropoxy)aniline
CID 174979795
3-[2-[(3-aminophenyl)-phenoxymethyl]-3,3,3-trifluoro-1-phenoxy-2-(trifluoromethyl)propyl]aniline
CID 154365933
3-(3-aminophenoxy)-1,1,1-trifluoropropan-2-ol
CID 63901721
2,2,2-trifluoroethyl (2S)-2-(3-aminophenoxy)propanoate
CID 100616854
3-(2-fluoro-2-methylpropoxy)aniline
CID 84659068
2-(3-aminophenoxy)propanamide
CID 43115971
2-(3-aminophenoxy)propan-1-ol
CID 130503390
3-[1-(3-bromophenoxy)ethyl]aniline
CID 61263689
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-[3,5-bis(3-aminophenoxy)phenoxy]aniline
CID 19698881
3-[(2-methylpropan-2-yl)oxy]aniline
CID 19389149
3-(3-aminophenoxy)benzoic acid;2,2,2-trifluoroacetic acid
CID 162305453

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,2,3,3,3-hexafluoropropoxy)aniline?
The IUPAC name of 3-(1,2,2,3,3,3-hexafluoropropoxy)aniline (CID 175221453) is 3-(1,2,2,3,3,3-hexafluoropropoxy)aniline.
What is the SMILES notation for 3-(1,2,2,3,3,3-hexafluoropropoxy)aniline?
The canonical SMILES for 3-(1,2,2,3,3,3-hexafluoropropoxy)aniline is Nc1cccc(OC(F)C(F)(F)C(F)(F)F)c1.
What is the InChIKey of 3-(1,2,2,3,3,3-hexafluoropropoxy)aniline?
The InChIKey is OPAQYXSCBLFLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F6NO/c10-7(8(11,12)9(13,14)15)17-6-3-1-2-5(16)4-6/h1-4,7H,16H2.
What are the key properties of 3-(1,2,2,3,3,3-hexafluoropropoxy)aniline?
3-(1,2,2,3,3,3-hexafluoropropoxy)aniline has a molecular weight of 259.15 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,2,3,3,3-hexafluoropropoxy)aniline is sourced from PubChem (CID 175221453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).