(2-chloro-6-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium

C12H16ClFNO+ — CID 6948740

IUPAC(2-chloro-6-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium
SMILESFc1cccc(Cl)c1C[NH2+]C[C@H]1CCCO1
InChIInChI=1S/C12H15ClFNO/c13-11-4-1-5-12(14)10(11)8-15-7-9-3-2-6-16-9/h1,4-5,9,15H,2-3,6-8H2/p+1/t9-/m1/s1
InChIKeyOABLOMURHFGCKX-SECBINFHSA-O
MW244.72 g/mol
LogP1.72
Rot. Bonds4

About (2-chloro-6-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium

(2-chloro-6-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium (PubChem CID 6948740) has the molecular formula C12H16ClFNO+ and a molecular weight of 244.72 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium
PubChem CID6948740
Molecular FormulaC12H16ClFNO+
Molecular Weight244.72 g/mol
Exact Mass244.09
IUPAC Name(2-chloro-6-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium
SMILESFc1cccc(Cl)c1C[NH2+]C[C@H]1CCCO1
InChIInChI=1S/C12H15ClFNO/c13-11-4-1-5-12(14)10(11)8-15-7-9-3-2-6-16-9/h1,4-5,9,15H,2-3,6-8H2/p+1/t9-/m1/s1
InChIKeyOABLOMURHFGCKX-SECBINFHSA-O
XLogP1.72
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.72
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium (CID 6948740) is (2-chloro-6-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium is Fc1cccc(Cl)c1C[NH2+]C[C@H]1CCCO1.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium?
The InChIKey is OABLOMURHFGCKX-SECBINFHSA-O. The full InChI is InChI=1S/C12H15ClFNO/c13-11-4-1-5-12(14)10(11)8-15-7-9-3-2-6-16-9/h1,4-5,9,15H,2-3,6-8H2/p+1/t9-/m1/s1.
What are the key properties of (2-chloro-6-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium?
(2-chloro-6-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium has a molecular weight of 244.72 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]azanium is sourced from PubChem (CID 6948740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).