3-(3-fluorooxan-3-yl)aniline

C11H14FNO — CID 105448971

IUPAC3-(3-fluorooxan-3-yl)aniline
SMILESNc1cccc(C2(F)CCCOC2)c1
InChIInChI=1S/C11H14FNO/c12-11(5-2-6-14-8-11)9-3-1-4-10(13)7-9/h1,3-4,7H,2,5-6,8,13H2
InChIKeyKLFMSCSXZFDNSB-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.24
Rot. Bonds1

About 3-(3-fluorooxan-3-yl)aniline

3-(3-fluorooxan-3-yl)aniline (PubChem CID 105448971) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 3-(3-fluorooxan-3-yl)aniline.

Molecular Properties

Compound Name3-(3-fluorooxan-3-yl)aniline
PubChem CID105448971
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name3-(3-fluorooxan-3-yl)aniline
SMILESNc1cccc(C2(F)CCCOC2)c1
InChIInChI=1S/C11H14FNO/c12-11(5-2-6-14-8-11)9-3-1-4-10(13)7-9/h1,3-4,7H,2,5-6,8,13H2
InChIKeyKLFMSCSXZFDNSB-UHFFFAOYSA-N
XLogP2.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.24
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

3-(1-aminocyclopentyl)aniline
CID 117047301
3-fluoro-3-phenyloxolane
CID 84717126
3-(3-fluoro-1-methylpiperidin-3-yl)aniline
CID 105461987
3-(3-aminophenyl)oxolan-3-ol
CID 105437970
3-[(3-aminophenyl)methyl]oxan-3-ol
CID 105460368
3-[1-(1-fluoroethyl)cyclobutyl]aniline
CID 84720155
3-[1-(1-fluoroethyl)cyclopropyl]aniline
CID 84718251
3-[2-(3-aminophenyl)-1,3-dithian-2-yl]aniline
CID 11185739
ethane;3-(2-methyl-1,3-dioxolan-2-yl)aniline
CID 142184021
2-[3-(4-fluorooxan-4-yl)phenyl]ethanamine
CID 84725265
[3-[3-(trifluoromethyl)phenyl]oxan-3-yl]methanamine
CID 83825736
[3-(1-fluorocyclobutyl)phenyl]methanamine
CID 84718168

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorooxan-3-yl)aniline?
The IUPAC name of 3-(3-fluorooxan-3-yl)aniline (CID 105448971) is 3-(3-fluorooxan-3-yl)aniline.
What is the SMILES notation for 3-(3-fluorooxan-3-yl)aniline?
The canonical SMILES for 3-(3-fluorooxan-3-yl)aniline is Nc1cccc(C2(F)CCCOC2)c1.
What is the InChIKey of 3-(3-fluorooxan-3-yl)aniline?
The InChIKey is KLFMSCSXZFDNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c12-11(5-2-6-14-8-11)9-3-1-4-10(13)7-9/h1,3-4,7H,2,5-6,8,13H2.
What are the key properties of 3-(3-fluorooxan-3-yl)aniline?
3-(3-fluorooxan-3-yl)aniline has a molecular weight of 195.24 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorooxan-3-yl)aniline is sourced from PubChem (CID 105448971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).