N-(3-fluorophenoxy)aniline

C12H10FNO — CID 141068441

IUPACN-(3-fluorophenoxy)aniline
SMILESFc1cccc(ONc2ccccc2)c1
InChIInChI=1S/C12H10FNO/c13-10-5-4-8-12(9-10)15-14-11-6-2-1-3-7-11/h1-9,14H
InChIKeyHZXHLVAMWHBSBB-UHFFFAOYSA-N
MW203.22 g/mol
LogP3.23
Rot. Bonds3

About N-(3-fluorophenoxy)aniline

N-(3-fluorophenoxy)aniline (PubChem CID 141068441) has the molecular formula C12H10FNO and a molecular weight of 203.22 g/mol. Its IUPAC name is N-(3-fluorophenoxy)aniline.

Molecular Properties

Compound NameN-(3-fluorophenoxy)aniline
PubChem CID141068441
Molecular FormulaC12H10FNO
Molecular Weight203.22 g/mol
Exact Mass203.07
IUPAC NameN-(3-fluorophenoxy)aniline
SMILESFc1cccc(ONc2ccccc2)c1
InChIInChI=1S/C12H10FNO/c13-10-5-4-8-12(9-10)15-14-11-6-2-1-3-7-11/h1-9,14H
InChIKeyHZXHLVAMWHBSBB-UHFFFAOYSA-N
XLogP3.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluorophenoxy)methanamine
CID 117126743
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
3-N-phenoxybenzene-1,3-diamine
CID 90253580
N-[4-(4-anilinooxyphenyl)phenoxy]aniline
CID 172689227
3-fluoro-N-phenylaniline
CID 2774466
N-[3,5-bis(trifluoromethyl)phenoxy]aniline
CID 158887487
(2-anilino-2-oxoethyl) 2-(3-fluorophenoxy)acetate
CID 8915415
(3-fluorophenyl) diphenyl phosphate
CID 154131589
3-fluoro-N-[[2-(1H-pyrazol-4-yl)-4-pyridinyl]oxy]aniline
CID 141266815
1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
CID 22338391
1-[difluoro(phenyl)methoxy]-3-fluorobenzene
CID 142370420
N'-(3-fluorophenyl)-N-phenylmethanediamine
CID 141068458

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenoxy)aniline?
The IUPAC name of N-(3-fluorophenoxy)aniline (CID 141068441) is N-(3-fluorophenoxy)aniline.
What is the SMILES notation for N-(3-fluorophenoxy)aniline?
The canonical SMILES for N-(3-fluorophenoxy)aniline is Fc1cccc(ONc2ccccc2)c1.
What is the InChIKey of N-(3-fluorophenoxy)aniline?
The InChIKey is HZXHLVAMWHBSBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO/c13-10-5-4-8-12(9-10)15-14-11-6-2-1-3-7-11/h1-9,14H.
What are the key properties of N-(3-fluorophenoxy)aniline?
N-(3-fluorophenoxy)aniline has a molecular weight of 203.22 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenoxy)aniline is sourced from PubChem (CID 141068441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).