2-[3-fluoropropyl(methyl)amino]ethanethiol

C6H14FNS — CID 58986379

IUPAC2-[3-fluoropropyl(methyl)amino]ethanethiol
SMILESCN(CCS)CCCF
InChIInChI=1S/C6H14FNS/c1-8(5-6-9)4-2-3-7/h9H,2-6H2,1H3
InChIKeyNFMSSVHYRAXCKD-UHFFFAOYSA-N
MW151.25 g/mol
LogP1.21
Rot. Bonds5

About 2-[3-fluoropropyl(methyl)amino]ethanethiol

2-[3-fluoropropyl(methyl)amino]ethanethiol (PubChem CID 58986379) has the molecular formula C6H14FNS and a molecular weight of 151.25 g/mol. Its IUPAC name is 2-[3-fluoropropyl(methyl)amino]ethanethiol.

Molecular Properties

Compound Name2-[3-fluoropropyl(methyl)amino]ethanethiol
PubChem CID58986379
Molecular FormulaC6H14FNS
Molecular Weight151.25 g/mol
Exact Mass151.08
IUPAC Name2-[3-fluoropropyl(methyl)amino]ethanethiol
SMILESCN(CCS)CCCF
InChIInChI=1S/C6H14FNS/c1-8(5-6-9)4-2-3-7/h9H,2-6H2,1H3
InChIKeyNFMSSVHYRAXCKD-UHFFFAOYSA-N
XLogP1.21
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N'-(3-fluoropropyl)-N'-methylethane-1,2-diamine
CID 81106784
ethane;3-fluoro-N-methyl-N-propylpropan-1-amine
CID 142123052
3-[3-fluoropropyl(methyl)amino]propan-1-ol
CID 126974826
N-(3-fluoropropyl)-N,3-dimethylbutan-1-amine
CID 142351395
2-[methyl(3-methylsulfanylpropyl)amino]ethanethiol
CID 130490537
3-[3-aminopropyl(methyl)amino]propane-1-thiol
CID 88890583
(2S)-1-[3-fluoropropyl(methyl)amino]propan-2-ol
CID 127002194
2-(dibutylamino)ethanethiol;2-[methyl(2-sulfanylethyl)amino]ethanethiol;oxygen(2-);technetium(6+)
CID 10095541
9-[butyl(methyl)amino]nonane-1-thiol
CID 105344024
2-[methyl-[2-[methyl(2-methylsulfanylethyl)amino]ethyl]amino]ethanethiol
CID 101181083
3-[hexyl(methyl)amino]propane-1-thiol
CID 23362422
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane
CID 171793143

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoropropyl(methyl)amino]ethanethiol?
The IUPAC name of 2-[3-fluoropropyl(methyl)amino]ethanethiol (CID 58986379) is 2-[3-fluoropropyl(methyl)amino]ethanethiol.
What is the SMILES notation for 2-[3-fluoropropyl(methyl)amino]ethanethiol?
The canonical SMILES for 2-[3-fluoropropyl(methyl)amino]ethanethiol is CN(CCS)CCCF.
What is the InChIKey of 2-[3-fluoropropyl(methyl)amino]ethanethiol?
The InChIKey is NFMSSVHYRAXCKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNS/c1-8(5-6-9)4-2-3-7/h9H,2-6H2,1H3.
What are the key properties of 2-[3-fluoropropyl(methyl)amino]ethanethiol?
2-[3-fluoropropyl(methyl)amino]ethanethiol has a molecular weight of 151.25 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoropropyl(methyl)amino]ethanethiol is sourced from PubChem (CID 58986379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).