(2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanamine

C11H13ClFNOS — CID 105395270

IUPAC(2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanamine
SMILESNC(c1cc(F)ccc1Cl)C1CSCCO1
InChIInChI=1S/C11H13ClFNOS/c12-9-2-1-7(13)5-8(9)11(14)10-6-16-4-3-15-10/h1-2,5,10-11H,3-4,6,14H2
InChIKeyJWKRUKJVVYKRLP-UHFFFAOYSA-N
MW261.75 g/mol
LogP2.61
Rot. Bonds2

About (2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanamine

(2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanamine (PubChem CID 105395270) has the molecular formula C11H13ClFNOS and a molecular weight of 261.75 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanamine
PubChem CID105395270
Molecular FormulaC11H13ClFNOS
Molecular Weight261.75 g/mol
Exact Mass261.04
IUPAC Name(2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanamine
SMILESNC(c1cc(F)ccc1Cl)C1CSCCO1
InChIInChI=1S/C11H13ClFNOS/c12-9-2-1-7(13)5-8(9)11(14)10-6-16-4-3-15-10/h1-2,5,10-11H,3-4,6,14H2
InChIKeyJWKRUKJVVYKRLP-UHFFFAOYSA-N
XLogP2.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.75
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanol
CID 105394546
(2-chloro-5-fluorophenyl)-(oxan-2-yl)methanamine
CID 105397026
(2-chloro-5-fluorophenyl)-(thiolan-3-yl)methanamine
CID 105397355
[2-(2-chloro-5-fluorophenyl)-1-(1,4-oxathian-2-yl)ethyl]hydrazine
CID 102623389
(2-chloro-5-fluorophenyl)-(5-methyloxolan-2-yl)methanamine
CID 105396850
2-(5-fluoro-2-methylphenyl)-1-(1,4-oxathian-2-yl)ethanamine
CID 105374163
(2-chloro-5-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 105397164
(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine
CID 131512229
1,4-oxathian-2-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 79962415
(2-fluoro-4,6-dimethylphenyl)-(1,4-oxathian-2-yl)methanamine
CID 106881803
[2-(2-methoxyethoxy)phenyl]-(1,4-oxathian-2-yl)methanamine
CID 104660485
(1R)-1-(1,4-oxathian-2-yl)ethanamine
CID 104932096

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanamine?
The IUPAC name of (2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanamine (CID 105395270) is (2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanamine.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanamine?
The canonical SMILES for (2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanamine is NC(c1cc(F)ccc1Cl)C1CSCCO1.
What is the InChIKey of (2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanamine?
The InChIKey is JWKRUKJVVYKRLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNOS/c12-9-2-1-7(13)5-8(9)11(14)10-6-16-4-3-15-10/h1-2,5,10-11H,3-4,6,14H2.
What are the key properties of (2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanamine?
(2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanamine has a molecular weight of 261.75 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanamine is sourced from PubChem (CID 105395270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).