2-fluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine

C8H16FNS — CID 80723595

IUPAC2-fluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine
SMILESCC1(CNCCF)CCCS1
InChIInChI=1S/C8H16FNS/c1-8(3-2-6-11-8)7-10-5-4-9/h10H,2-7H2,1H3
InChIKeyNSNBSGNPFBNKIF-UHFFFAOYSA-N
MW177.29 g/mol
LogP1.83
Rot. Bonds4

About 2-fluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine

2-fluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine (PubChem CID 80723595) has the molecular formula C8H16FNS and a molecular weight of 177.29 g/mol. Its IUPAC name is 2-fluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-fluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine
PubChem CID80723595
Molecular FormulaC8H16FNS
Molecular Weight177.29 g/mol
Exact Mass177.10
IUPAC Name2-fluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine
SMILESCC1(CNCCF)CCCS1
InChIInChI=1S/C8H16FNS/c1-8(3-2-6-11-8)7-10-5-4-9/h10H,2-7H2,1H3
InChIKeyNSNBSGNPFBNKIF-UHFFFAOYSA-N
XLogP1.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(Pentan-2-yl)-1,3-thiazolidine
CID 218555
2-Methyl-2-(3-methylbutyl)-1,3-thiazolidine
CID 3058780
(2S)-2-[(5,5,5-trifluoro-4-methylpentyl)sulfanylmethyl]pyrrolidine
CID 140997839
2-fluoro-N-(thiolan-2-ylmethyl)ethanamine
CID 80694866
3,3,3-trifluoro-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 80722297
2,2,2-trifluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80722665
2,2-difluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine
CID 80723122
3-fluoro-N-(thiolan-2-ylmethyl)propan-1-amine
CID 81106470
3-fluoro-N-[(2-methylthiolan-2-yl)methyl]propan-1-amine
CID 81106836
3-(2-Fluoro-2-methylpropyl)sulfanylpyrrolidine
CID 84656244
3-(3-Fluorobutylsulfanyl)pyrrolidine
CID 84656245
4-(2-Fluoro-2-methylpropyl)sulfanylpiperidine
CID 84663638

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine?
The IUPAC name of 2-fluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine (CID 80723595) is 2-fluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-fluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine?
The canonical SMILES for 2-fluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine is CC1(CNCCF)CCCS1.
What is the InChIKey of 2-fluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine?
The InChIKey is NSNBSGNPFBNKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNS/c1-8(3-2-6-11-8)7-10-5-4-9/h10H,2-7H2,1H3.
What are the key properties of 2-fluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine?
2-fluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine has a molecular weight of 177.29 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[(2-methylthiolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 80723595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).