3-(5-fluoropentoxy)aniline

C11H16FNO — CID 66646082

IUPAC3-(5-fluoropentoxy)aniline
SMILESNc1cccc(OCCCCCF)c1
InChIInChI=1S/C11H16FNO/c12-7-2-1-3-8-14-11-6-4-5-10(13)9-11/h4-6,9H,1-3,7-8,13H2
InChIKeyYIUKGAXUAFHJEK-UHFFFAOYSA-N
MW197.25 g/mol
LogP2.79
Rot. Bonds6

About 3-(5-fluoropentoxy)aniline

3-(5-fluoropentoxy)aniline (PubChem CID 66646082) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 3-(5-fluoropentoxy)aniline.

Molecular Properties

Compound Name3-(5-fluoropentoxy)aniline
PubChem CID66646082
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name3-(5-fluoropentoxy)aniline
SMILESNc1cccc(OCCCCCF)c1
InChIInChI=1S/C11H16FNO/c12-7-2-1-3-8-14-11-6-4-5-10(13)9-11/h4-6,9H,1-3,7-8,13H2
InChIKeyYIUKGAXUAFHJEK-UHFFFAOYSA-N
XLogP2.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(3-methylphenoxy)butoxy]aniline
CID 39109349
2-[4-(3-aminophenoxy)butoxy]aniline
CID 146356304
2-fluoroethyl 3-(3-aminophenoxy)propanoate
CID 80694480
2-[8-(3-aminophenoxy)octoxy]-6-methylaniline
CID 153401305
3-(3-propoxypropoxy)aniline
CID 43247836
3-[2-[3-(trifluoromethyl)phenoxy]ethoxy]aniline
CID 43366096
3-[3-[(2-methylpropan-2-yl)oxy]propoxy]aniline
CID 43366160
6-hydroxyhexyl 2-(3-aminophenoxy)acetate
CID 107706148
3-(4-aminoheptoxy)aniline
CID 160803026
3-[2-(4-methoxyphenoxy)ethoxy]aniline
CID 6502498
3-[3-(trimethoxy-λ4-sulfanyl)propoxy]aniline
CID 172622042
3-(3-ethylsulfanylpropoxy)aniline
CID 43366378

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoropentoxy)aniline?
The IUPAC name of 3-(5-fluoropentoxy)aniline (CID 66646082) is 3-(5-fluoropentoxy)aniline.
What is the SMILES notation for 3-(5-fluoropentoxy)aniline?
The canonical SMILES for 3-(5-fluoropentoxy)aniline is Nc1cccc(OCCCCCF)c1.
What is the InChIKey of 3-(5-fluoropentoxy)aniline?
The InChIKey is YIUKGAXUAFHJEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c12-7-2-1-3-8-14-11-6-4-5-10(13)9-11/h4-6,9H,1-3,7-8,13H2.
What are the key properties of 3-(5-fluoropentoxy)aniline?
3-(5-fluoropentoxy)aniline has a molecular weight of 197.25 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoropentoxy)aniline is sourced from PubChem (CID 66646082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).