4-fluoro-N-(oxolan-2-ylmethyl)aniline

C11H14FNO — CID 43179932

IUPAC4-fluoro-N-(oxolan-2-ylmethyl)aniline
SMILESFc1ccc(NCC2CCCO2)cc1
InChIInChI=1S/C11H14FNO/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h3-6,11,13H,1-2,7-8H2
InChIKeyUZLKFVUORFPRPB-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.42
Rot. Bonds3

About 4-fluoro-N-(oxolan-2-ylmethyl)aniline

4-fluoro-N-(oxolan-2-ylmethyl)aniline (PubChem CID 43179932) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is 4-fluoro-N-(oxolan-2-ylmethyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-(oxolan-2-ylmethyl)aniline
PubChem CID43179932
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Name4-fluoro-N-(oxolan-2-ylmethyl)aniline
SMILESFc1ccc(NCC2CCCO2)cc1
InChIInChI=1S/C11H14FNO/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h3-6,11,13H,1-2,7-8H2
InChIKeyUZLKFVUORFPRPB-UHFFFAOYSA-N
XLogP2.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(oxolan-2-ylmethyl)aniline?
The IUPAC name of 4-fluoro-N-(oxolan-2-ylmethyl)aniline (CID 43179932) is 4-fluoro-N-(oxolan-2-ylmethyl)aniline.
What is the SMILES notation for 4-fluoro-N-(oxolan-2-ylmethyl)aniline?
The canonical SMILES for 4-fluoro-N-(oxolan-2-ylmethyl)aniline is Fc1ccc(NCC2CCCO2)cc1.
What is the InChIKey of 4-fluoro-N-(oxolan-2-ylmethyl)aniline?
The InChIKey is UZLKFVUORFPRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h3-6,11,13H,1-2,7-8H2.
What are the key properties of 4-fluoro-N-(oxolan-2-ylmethyl)aniline?
4-fluoro-N-(oxolan-2-ylmethyl)aniline has a molecular weight of 195.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(oxolan-2-ylmethyl)aniline is sourced from PubChem (CID 43179932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).