[3-(fluoromethyl)thian-3-yl]methanamine

C7H14FNS — CID 84764720

IUPAC[3-(fluoromethyl)thian-3-yl]methanamine
SMILESNCC1(CF)CCCSC1
InChIInChI=1S/C7H14FNS/c8-4-7(5-9)2-1-3-10-6-7/h1-6,9H2
InChIKeyCHVHVWJRDSJFNB-UHFFFAOYSA-N
MW163.26 g/mol
LogP1.43
Rot. Bonds2

About [3-(fluoromethyl)thian-3-yl]methanamine

[3-(fluoromethyl)thian-3-yl]methanamine (PubChem CID 84764720) has the molecular formula C7H14FNS and a molecular weight of 163.26 g/mol. Its IUPAC name is [3-(fluoromethyl)thian-3-yl]methanamine.

Molecular Properties

Compound Name[3-(fluoromethyl)thian-3-yl]methanamine
PubChem CID84764720
Molecular FormulaC7H14FNS
Molecular Weight163.26 g/mol
Exact Mass163.08
IUPAC Name[3-(fluoromethyl)thian-3-yl]methanamine
SMILESNCC1(CF)CCCSC1
InChIInChI=1S/C7H14FNS/c8-4-7(5-9)2-1-3-10-6-7/h1-6,9H2
InChIKeyCHVHVWJRDSJFNB-UHFFFAOYSA-N
XLogP1.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(fluoromethyl)thian-3-yl]methanamine?
The IUPAC name of [3-(fluoromethyl)thian-3-yl]methanamine (CID 84764720) is [3-(fluoromethyl)thian-3-yl]methanamine.
What is the SMILES notation for [3-(fluoromethyl)thian-3-yl]methanamine?
The canonical SMILES for [3-(fluoromethyl)thian-3-yl]methanamine is NCC1(CF)CCCSC1.
What is the InChIKey of [3-(fluoromethyl)thian-3-yl]methanamine?
The InChIKey is CHVHVWJRDSJFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNS/c8-4-7(5-9)2-1-3-10-6-7/h1-6,9H2.
What are the key properties of [3-(fluoromethyl)thian-3-yl]methanamine?
[3-(fluoromethyl)thian-3-yl]methanamine has a molecular weight of 163.26 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(fluoromethyl)thian-3-yl]methanamine is sourced from PubChem (CID 84764720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).