5-chloro-2-fluoro-N-[(5-methylfuran-2-yl)methyl]aniline

C12H11ClFNO — CID 43438391

IUPAC5-chloro-2-fluoro-N-[(5-methylfuran-2-yl)methyl]aniline
SMILESCc1ccc(CNc2cc(Cl)ccc2F)o1
InChIInChI=1S/C12H11ClFNO/c1-8-2-4-10(16-8)7-15-12-6-9(13)3-5-11(12)14/h2-6,15H,7H2,1H3
InChIKeyMCVMKRKUDVCMDD-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.99
Rot. Bonds3

About 5-chloro-2-fluoro-N-[(5-methylfuran-2-yl)methyl]aniline

5-chloro-2-fluoro-N-[(5-methylfuran-2-yl)methyl]aniline (PubChem CID 43438391) has the molecular formula C12H11ClFNO and a molecular weight of 239.68 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-[(5-methylfuran-2-yl)methyl]aniline.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-[(5-methylfuran-2-yl)methyl]aniline
PubChem CID43438391
Molecular FormulaC12H11ClFNO
Molecular Weight239.68 g/mol
Exact Mass239.05
IUPAC Name5-chloro-2-fluoro-N-[(5-methylfuran-2-yl)methyl]aniline
SMILESCc1ccc(CNc2cc(Cl)ccc2F)o1
InChIInChI=1S/C12H11ClFNO/c1-8-2-4-10(16-8)7-15-12-6-9(13)3-5-11(12)14/h2-6,15H,7H2,1H3
InChIKeyMCVMKRKUDVCMDD-UHFFFAOYSA-N
XLogP3.99
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-N-[(5-methylfuran-2-yl)methyl]benzene-1,2-diamine
CID 115468900
4-chloro-N-[(5-methylfuran-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 28548305
5-chloro-N-[(5-methylfuran-2-yl)methyl]-2-propoxyaniline
CID 54864869
5-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline
CID 63423425
5-[(5-chloro-2-fluoroanilino)methyl]-2-methylfuran-3-carboxylic acid
CID 103237912
[5-[(2-fluoro-5-methylanilino)methyl]furan-2-yl]methanol
CID 64579556
2-chloro-N-[(5-methylfuran-2-yl)methyl]thiophen-3-amine
CID 130671044
2-chloro-4,5-dimethoxy-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43712372
N-[(5-bromofuran-2-yl)methyl]-4-chloro-2-fluoroaniline
CID 43716493
N-[(5-chlorofuran-2-yl)methyl]-2-fluoro-5-(trifluoromethyl)aniline
CID 63036832
1-(5-chloro-2-methoxyphenyl)-3-[(5-methylfuran-2-yl)methyl]thiourea
CID 3793426
2-amino-5-chloro-N-[(5-methylfuran-2-yl)methyl]benzenesulfonamide
CID 62522972

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-[(5-methylfuran-2-yl)methyl]aniline?
The IUPAC name of 5-chloro-2-fluoro-N-[(5-methylfuran-2-yl)methyl]aniline (CID 43438391) is 5-chloro-2-fluoro-N-[(5-methylfuran-2-yl)methyl]aniline.
What is the SMILES notation for 5-chloro-2-fluoro-N-[(5-methylfuran-2-yl)methyl]aniline?
The canonical SMILES for 5-chloro-2-fluoro-N-[(5-methylfuran-2-yl)methyl]aniline is Cc1ccc(CNc2cc(Cl)ccc2F)o1.
What is the InChIKey of 5-chloro-2-fluoro-N-[(5-methylfuran-2-yl)methyl]aniline?
The InChIKey is MCVMKRKUDVCMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO/c1-8-2-4-10(16-8)7-15-12-6-9(13)3-5-11(12)14/h2-6,15H,7H2,1H3.
What are the key properties of 5-chloro-2-fluoro-N-[(5-methylfuran-2-yl)methyl]aniline?
5-chloro-2-fluoro-N-[(5-methylfuran-2-yl)methyl]aniline has a molecular weight of 239.68 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-[(5-methylfuran-2-yl)methyl]aniline is sourced from PubChem (CID 43438391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).