N-[4-(chloromethyl)-2-fluorophenyl]-N-methyloxolan-3-amine

C12H15ClFNO — CID 82742861

IUPACN-[4-(chloromethyl)-2-fluorophenyl]-N-methyloxolan-3-amine
SMILESCN(c1ccc(CCl)cc1F)C1CCOC1
InChIInChI=1S/C12H15ClFNO/c1-15(10-4-5-16-8-10)12-3-2-9(7-13)6-11(12)14/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyZEWCUDYEVAMWBZ-UHFFFAOYSA-N
MW243.71 g/mol
LogP2.79
Rot. Bonds3

About N-[4-(chloromethyl)-2-fluorophenyl]-N-methyloxolan-3-amine

N-[4-(chloromethyl)-2-fluorophenyl]-N-methyloxolan-3-amine (PubChem CID 82742861) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is N-[4-(chloromethyl)-2-fluorophenyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound NameN-[4-(chloromethyl)-2-fluorophenyl]-N-methyloxolan-3-amine
PubChem CID82742861
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC NameN-[4-(chloromethyl)-2-fluorophenyl]-N-methyloxolan-3-amine
SMILESCN(c1ccc(CCl)cc1F)C1CCOC1
InChIInChI=1S/C12H15ClFNO/c1-15(10-4-5-16-8-10)12-3-2-9(7-13)6-11(12)14/h2-3,6,10H,4-5,7-8H2,1H3
InChIKeyZEWCUDYEVAMWBZ-UHFFFAOYSA-N
XLogP2.79
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)-2-fluorophenyl]-N-methyloxolan-3-amine?
The IUPAC name of N-[4-(chloromethyl)-2-fluorophenyl]-N-methyloxolan-3-amine (CID 82742861) is N-[4-(chloromethyl)-2-fluorophenyl]-N-methyloxolan-3-amine.
What is the SMILES notation for N-[4-(chloromethyl)-2-fluorophenyl]-N-methyloxolan-3-amine?
The canonical SMILES for N-[4-(chloromethyl)-2-fluorophenyl]-N-methyloxolan-3-amine is CN(c1ccc(CCl)cc1F)C1CCOC1.
What is the InChIKey of N-[4-(chloromethyl)-2-fluorophenyl]-N-methyloxolan-3-amine?
The InChIKey is ZEWCUDYEVAMWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-15(10-4-5-16-8-10)12-3-2-9(7-13)6-11(12)14/h2-3,6,10H,4-5,7-8H2,1H3.
What are the key properties of N-[4-(chloromethyl)-2-fluorophenyl]-N-methyloxolan-3-amine?
N-[4-(chloromethyl)-2-fluorophenyl]-N-methyloxolan-3-amine has a molecular weight of 243.71 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)-2-fluorophenyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 82742861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).