aniline;2-fluoroaniline

C12H13FN2 — CID 154966061

IUPACaniline;2-fluoroaniline
SMILESNc1ccccc1.Nc1ccccc1F
InChIInChI=1S/C6H6FN.C6H7N/c7-5-3-1-2-4-6(5)8;7-6-4-2-1-3-5-6/h1-4H,8H2;1-5H,7H2
InChIKeyDEIDPPOULDMUJQ-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.68
Rot. Bonds

About aniline;2-fluoroaniline

aniline;2-fluoroaniline (PubChem CID 154966061) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is aniline;2-fluoroaniline.

Molecular Properties

Compound Nameaniline;2-fluoroaniline
PubChem CID154966061
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Nameaniline;2-fluoroaniline
SMILESNc1ccccc1.Nc1ccccc1F
InChIInChI=1S/C6H6FN.C6H7N/c7-5-3-1-2-4-6(5)8;7-6-4-2-1-3-5-6/h1-4H,8H2;1-5H,7H2
InChIKeyDEIDPPOULDMUJQ-UHFFFAOYSA-N
XLogP2.68
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-amine
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CID 11423671
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CID 161015220
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CID 173287766
zinc;aniline;dichloride
CID 70636252
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CID 174744569
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CID 87207909

Frequently Asked Questions

What is the IUPAC name of aniline;2-fluoroaniline?
The IUPAC name of aniline;2-fluoroaniline (CID 154966061) is aniline;2-fluoroaniline.
What is the SMILES notation for aniline;2-fluoroaniline?
The canonical SMILES for aniline;2-fluoroaniline is Nc1ccccc1.Nc1ccccc1F.
What is the InChIKey of aniline;2-fluoroaniline?
The InChIKey is DEIDPPOULDMUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6FN.C6H7N/c7-5-3-1-2-4-6(5)8;7-6-4-2-1-3-5-6/h1-4H,8H2;1-5H,7H2.
What are the key properties of aniline;2-fluoroaniline?
aniline;2-fluoroaniline has a molecular weight of 204.25 g/mol, XLogP of 2.68, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;2-fluoroaniline is sourced from PubChem (CID 154966061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).