(2-chloro-5-fluorophenyl)-(thiolan-3-yl)methanamine

C11H13ClFNS — CID 105397355

IUPAC(2-chloro-5-fluorophenyl)-(thiolan-3-yl)methanamine
SMILESNC(c1cc(F)ccc1Cl)C1CCSC1
InChIInChI=1S/C11H13ClFNS/c12-10-2-1-8(13)5-9(10)11(14)7-3-4-15-6-7/h1-2,5,7,11H,3-4,6,14H2
InChIKeyWEXPWLNVIWBYIM-UHFFFAOYSA-N
MW245.75 g/mol
LogP3.23
Rot. Bonds2

About (2-chloro-5-fluorophenyl)-(thiolan-3-yl)methanamine

(2-chloro-5-fluorophenyl)-(thiolan-3-yl)methanamine (PubChem CID 105397355) has the molecular formula C11H13ClFNS and a molecular weight of 245.75 g/mol. Its IUPAC name is (2-chloro-5-fluorophenyl)-(thiolan-3-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-5-fluorophenyl)-(thiolan-3-yl)methanamine
PubChem CID105397355
Molecular FormulaC11H13ClFNS
Molecular Weight245.75 g/mol
Exact Mass245.04
IUPAC Name(2-chloro-5-fluorophenyl)-(thiolan-3-yl)methanamine
SMILESNC(c1cc(F)ccc1Cl)C1CCSC1
InChIInChI=1S/C11H13ClFNS/c12-10-2-1-8(13)5-9(10)11(14)7-3-4-15-6-7/h1-2,5,7,11H,3-4,6,14H2
InChIKeyWEXPWLNVIWBYIM-UHFFFAOYSA-N
XLogP3.23
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.75
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(2-chloro-5-fluorophenyl)-cyclopentylmethanamine
CID 131512229
(2-chloro-5-fluorophenyl)-(1,4-oxathian-2-yl)methanamine
CID 105395270
2-(2-chloro-4-fluorophenyl)-1-(thiolan-3-yl)ethanamine
CID 105133425
2-(2,4-difluorophenyl)-1-(thiolan-3-yl)ethanamine
CID 105117558
(2-bromo-5-fluorophenyl)-cyclopropylmethanamine
CID 71743656
1-(2-chloro-5-fluorophenyl)-3-(thian-4-yl)propan-2-amine
CID 102622980
1-(2-chloro-5-fluorophenyl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105397023
(2-chloro-5-fluorophenyl)-(oxan-2-yl)methanamine
CID 105397026
(2-chloro-5-fluorophenyl)-(5-methyloxolan-2-yl)methanamine
CID 105396850
(R)-cyclobutyl-(2,5-dichlorophenyl)methanamine
CID 130055186
1-(2,4-difluorophenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105143702
(2-chloro-5-fluorophenyl)-(2-methyloxolan-3-yl)methanamine
CID 105397164

Frequently Asked Questions

What is the IUPAC name of (2-chloro-5-fluorophenyl)-(thiolan-3-yl)methanamine?
The IUPAC name of (2-chloro-5-fluorophenyl)-(thiolan-3-yl)methanamine (CID 105397355) is (2-chloro-5-fluorophenyl)-(thiolan-3-yl)methanamine.
What is the SMILES notation for (2-chloro-5-fluorophenyl)-(thiolan-3-yl)methanamine?
The canonical SMILES for (2-chloro-5-fluorophenyl)-(thiolan-3-yl)methanamine is NC(c1cc(F)ccc1Cl)C1CCSC1.
What is the InChIKey of (2-chloro-5-fluorophenyl)-(thiolan-3-yl)methanamine?
The InChIKey is WEXPWLNVIWBYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFNS/c12-10-2-1-8(13)5-9(10)11(14)7-3-4-15-6-7/h1-2,5,7,11H,3-4,6,14H2.
What are the key properties of (2-chloro-5-fluorophenyl)-(thiolan-3-yl)methanamine?
(2-chloro-5-fluorophenyl)-(thiolan-3-yl)methanamine has a molecular weight of 245.75 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-5-fluorophenyl)-(thiolan-3-yl)methanamine is sourced from PubChem (CID 105397355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).