4-fluoro-4-(methoxymethyl)-6-thiophen-2-ylhexan-1-amine

C12H20FNOS — CID 103392474

IUPAC4-fluoro-4-(methoxymethyl)-6-thiophen-2-ylhexan-1-amine
SMILESCOCC(F)(CCCN)CCc1cccs1
InChIInChI=1S/C12H20FNOS/c1-15-10-12(13,6-3-8-14)7-5-11-4-2-9-16-11/h2,4,9H,3,5-8,10,14H2,1H3
InChIKeyNAXHKLPMWWIRTE-UHFFFAOYSA-N
MW245.36 g/mol
LogP2.77
Rot. Bonds8

About 4-fluoro-4-(methoxymethyl)-6-thiophen-2-ylhexan-1-amine

4-fluoro-4-(methoxymethyl)-6-thiophen-2-ylhexan-1-amine (PubChem CID 103392474) has the molecular formula C12H20FNOS and a molecular weight of 245.36 g/mol. Its IUPAC name is 4-fluoro-4-(methoxymethyl)-6-thiophen-2-ylhexan-1-amine.

Molecular Properties

Compound Name4-fluoro-4-(methoxymethyl)-6-thiophen-2-ylhexan-1-amine
PubChem CID103392474
Molecular FormulaC12H20FNOS
Molecular Weight245.36 g/mol
Exact Mass245.12
IUPAC Name4-fluoro-4-(methoxymethyl)-6-thiophen-2-ylhexan-1-amine
SMILESCOCC(F)(CCCN)CCc1cccs1
InChIInChI=1S/C12H20FNOS/c1-15-10-12(13,6-3-8-14)7-5-11-4-2-9-16-11/h2,4,9H,3,5-8,10,14H2,1H3
InChIKeyNAXHKLPMWWIRTE-UHFFFAOYSA-N
XLogP2.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-Thien-2-yltetrahydropyran-4-yl)methylamine
CID 24229669
3-Amino-2-methyl-2-(thiophen-2-ylmethyl)propan-1-ol
CID 24265047
1-Thiophen-3-yl-5-(2,2,2-trifluoroethoxy)pentan-3-amine
CID 103148094
1-(5-Ethylthiophen-2-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148192
4-(2,2-Difluoroethoxy)-1-thiophen-2-ylbutan-2-amine
CID 103148881
1-(2,2-Difluoroethoxy)-5-thiophen-2-ylpentan-3-amine
CID 103148906
1-(2,2-Difluoroethoxy)-5-thiophen-3-ylpentan-3-amine
CID 103148987
1-(5-Tert-butylthiophen-2-yl)-3-(2,2-difluoroethoxy)propan-1-amine
CID 103207846
1-(5-Tert-butylthiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103207847
4-Thiophen-2-yl-1-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103215355
4-Fluoro-4-(methoxymethyl)-5-thiophen-2-ylpentan-1-amine
CID 103392365
4-Fluoro-5-methoxy-4-(5-methylthiophen-2-yl)pentan-1-amine
CID 103392405

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(methoxymethyl)-6-thiophen-2-ylhexan-1-amine?
The IUPAC name of 4-fluoro-4-(methoxymethyl)-6-thiophen-2-ylhexan-1-amine (CID 103392474) is 4-fluoro-4-(methoxymethyl)-6-thiophen-2-ylhexan-1-amine.
What is the SMILES notation for 4-fluoro-4-(methoxymethyl)-6-thiophen-2-ylhexan-1-amine?
The canonical SMILES for 4-fluoro-4-(methoxymethyl)-6-thiophen-2-ylhexan-1-amine is COCC(F)(CCCN)CCc1cccs1.
What is the InChIKey of 4-fluoro-4-(methoxymethyl)-6-thiophen-2-ylhexan-1-amine?
The InChIKey is NAXHKLPMWWIRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FNOS/c1-15-10-12(13,6-3-8-14)7-5-11-4-2-9-16-11/h2,4,9H,3,5-8,10,14H2,1H3.
What are the key properties of 4-fluoro-4-(methoxymethyl)-6-thiophen-2-ylhexan-1-amine?
4-fluoro-4-(methoxymethyl)-6-thiophen-2-ylhexan-1-amine has a molecular weight of 245.36 g/mol, XLogP of 2.77, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(methoxymethyl)-6-thiophen-2-ylhexan-1-amine is sourced from PubChem (CID 103392474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).