[2-fluoro-6-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine

C12H16FNOS — CID 106494963

IUPAC[2-fluoro-6-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine
SMILESNCc1c(F)cccc1SCC1CCCO1
InChIInChI=1S/C12H16FNOS/c13-11-4-1-5-12(10(11)7-14)16-8-9-3-2-6-15-9/h1,4-5,9H,2-3,6-8,14H2
InChIKeyAFXWVZXHNFETEM-UHFFFAOYSA-N
MW241.33 g/mol
LogP2.56
Rot. Bonds4

About [2-fluoro-6-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine

[2-fluoro-6-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine (PubChem CID 106494963) has the molecular formula C12H16FNOS and a molecular weight of 241.33 g/mol. Its IUPAC name is [2-fluoro-6-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-6-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine
PubChem CID106494963
Molecular FormulaC12H16FNOS
Molecular Weight241.33 g/mol
Exact Mass241.09
IUPAC Name[2-fluoro-6-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine
SMILESNCc1c(F)cccc1SCC1CCCO1
InChIInChI=1S/C12H16FNOS/c13-11-4-1-5-12(10(11)7-14)16-8-9-3-2-6-15-9/h1,4-5,9H,2-3,6-8,14H2
InChIKeyAFXWVZXHNFETEM-UHFFFAOYSA-N
XLogP2.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-(oxolan-2-ylmethylsulfanyl)benzenecarboximidamide
CID 106494556
[4-methyl-2-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine
CID 106494989
2-chloro-6-(oxolan-2-ylmethylsulfanyl)benzoic acid
CID 106495918
[2-(oxolan-2-ylmethylsulfanyl)phenyl]methanol
CID 106496659
8-(oxolan-2-ylmethylsulfanyl)quinoline
CID 5128598
2-bromo-6-(oxolan-2-ylmethylsulfanyl)benzonitrile
CID 106494363
(1R)-1-[2-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol
CID 106496640
4-fluoro-3-(oxan-2-ylmethylsulfanyl)benzoic acid
CID 80556406
(1R)-1-[3-fluoro-4-(oxolan-2-ylmethylsulfanyl)phenyl]ethanol
CID 106496639
5-fluoro-2-methoxy-4-(oxolan-2-ylmethylsulfanyl)aniline
CID 107260230
methyl 2-amino-3-(oxolan-2-ylmethylsulfanyl)benzoate
CID 106495160
2-[(4-phenylphenyl)sulfanylmethyl]oxolane
CID 60518989

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine?
The IUPAC name of [2-fluoro-6-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine (CID 106494963) is [2-fluoro-6-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine.
What is the SMILES notation for [2-fluoro-6-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine?
The canonical SMILES for [2-fluoro-6-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine is NCc1c(F)cccc1SCC1CCCO1.
What is the InChIKey of [2-fluoro-6-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine?
The InChIKey is AFXWVZXHNFETEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNOS/c13-11-4-1-5-12(10(11)7-14)16-8-9-3-2-6-15-9/h1,4-5,9H,2-3,6-8,14H2.
What are the key properties of [2-fluoro-6-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine?
[2-fluoro-6-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine has a molecular weight of 241.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-(oxolan-2-ylmethylsulfanyl)phenyl]methanamine is sourced from PubChem (CID 106494963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).