N-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-5-methylaniline

C12H11ClFNS — CID 28879462

IUPACN-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-5-methylaniline
SMILESCc1ccc(F)c(NCc2ccc(Cl)s2)c1
InChIInChI=1S/C12H11ClFNS/c1-8-2-4-10(14)11(6-8)15-7-9-3-5-12(13)16-9/h2-6,15H,7H2,1H3
InChIKeyKVKPRJRLANFSJK-UHFFFAOYSA-N
MW255.75 g/mol
LogP4.46
Rot. Bonds3

About N-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-5-methylaniline

N-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-5-methylaniline (PubChem CID 28879462) has the molecular formula C12H11ClFNS and a molecular weight of 255.75 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-5-methylaniline.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-5-methylaniline
PubChem CID28879462
Molecular FormulaC12H11ClFNS
Molecular Weight255.75 g/mol
Exact Mass255.03
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-5-methylaniline
SMILESCc1ccc(F)c(NCc2ccc(Cl)s2)c1
InChIInChI=1S/C12H11ClFNS/c1-8-2-4-10(14)11(6-8)15-7-9-3-5-12(13)16-9/h2-6,15H,7H2,1H3
InChIKeyKVKPRJRLANFSJK-UHFFFAOYSA-N
XLogP4.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-5-methylaniline?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-5-methylaniline (CID 28879462) is N-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-5-methylaniline.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-5-methylaniline?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-5-methylaniline is Cc1ccc(F)c(NCc2ccc(Cl)s2)c1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-5-methylaniline?
The InChIKey is KVKPRJRLANFSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNS/c1-8-2-4-10(14)11(6-8)15-7-9-3-5-12(13)16-9/h2-6,15H,7H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-5-methylaniline?
N-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-5-methylaniline has a molecular weight of 255.75 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-2-fluoro-5-methylaniline is sourced from PubChem (CID 28879462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).