2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)aniline

C11H13ClFNO — CID 43150447

IUPAC2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)aniline
SMILESFc1ccc(NCC2CCOC2)c(Cl)c1
InChIInChI=1S/C11H13ClFNO/c12-10-5-9(13)1-2-11(10)14-6-8-3-4-15-7-8/h1-2,5,8,14H,3-4,6-7H2
InChIKeyKYEAMLIZUXOXCL-UHFFFAOYSA-N
MW229.68 g/mol
LogP2.93
Rot. Bonds3

About 2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)aniline

2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)aniline (PubChem CID 43150447) has the molecular formula C11H13ClFNO and a molecular weight of 229.68 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)aniline.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)aniline
PubChem CID43150447
Molecular FormulaC11H13ClFNO
Molecular Weight229.68 g/mol
Exact Mass229.07
IUPAC Name2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)aniline
SMILESFc1ccc(NCC2CCOC2)c(Cl)c1
InChIInChI=1S/C11H13ClFNO/c12-10-5-9(13)1-2-11(10)14-6-8-3-4-15-7-8/h1-2,5,8,14H,3-4,6-7H2
InChIKeyKYEAMLIZUXOXCL-UHFFFAOYSA-N
XLogP2.93
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.68
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-N-(oxolan-3-ylmethyl)aniline
CID 43194688
N-(tetrahydrofuran-3-ylmethyl)aniline
CID 43190029
1-(2-Chlorophenyl)-3-[(oxolan-3-YL)methyl]-3-propylurea
CID 91915446
N-(2-chloro-4-fluorophenyl)-N-(2-methyl-1-propyl)amine
CID 19974708
2-chloro-N-[(E)-3-fluoroprop-2-enyl]aniline
CID 20456258
2-chloro-4-fluoro-N-propylaniline
CID 21161237
2-chloro-N-ethyl-4-fluoroaniline
CID 21161337
2-chloro-4-fluoro-N-pentylaniline
CID 28877180
2-chloro-N-cyclopentyl-4-fluoroaniline
CID 29080152
2-[(2-Chloro-4-fluorophenyl)amino]ethanol
CID 29080267
2-chloro-N-(cyclopropylmethyl)-4-fluoroaniline
CID 43560347
2-Chloro-N-(cyclopentylmethyl)-3-fluoroaniline
CID 66961969

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)aniline?
The IUPAC name of 2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)aniline (CID 43150447) is 2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)aniline.
What is the SMILES notation for 2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)aniline?
The canonical SMILES for 2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)aniline is Fc1ccc(NCC2CCOC2)c(Cl)c1.
What is the InChIKey of 2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)aniline?
The InChIKey is KYEAMLIZUXOXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNO/c12-10-5-9(13)1-2-11(10)14-6-8-3-4-15-7-8/h1-2,5,8,14H,3-4,6-7H2.
What are the key properties of 2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)aniline?
2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)aniline has a molecular weight of 229.68 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(oxolan-3-ylmethyl)aniline is sourced from PubChem (CID 43150447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).