N-[(1-fluorocyclobutyl)methyl]thietan-3-amine

C8H14FNS — CID 130806683

IUPACN-[(1-fluorocyclobutyl)methyl]thietan-3-amine
SMILESFC1(CNC2CSC2)CCC1
InChIInChI=1S/C8H14FNS/c9-8(2-1-3-8)6-10-7-4-11-5-7/h7,10H,1-6H2
InChIKeyQMMFCWKWRASCBH-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.58
Rot. Bonds3

About N-[(1-fluorocyclobutyl)methyl]thietan-3-amine

N-[(1-fluorocyclobutyl)methyl]thietan-3-amine (PubChem CID 130806683) has the molecular formula C8H14FNS and a molecular weight of 175.27 g/mol. Its IUPAC name is N-[(1-fluorocyclobutyl)methyl]thietan-3-amine.

Molecular Properties

Compound NameN-[(1-fluorocyclobutyl)methyl]thietan-3-amine
PubChem CID130806683
Molecular FormulaC8H14FNS
Molecular Weight175.27 g/mol
Exact Mass175.08
IUPAC NameN-[(1-fluorocyclobutyl)methyl]thietan-3-amine
SMILESFC1(CNC2CSC2)CCC1
InChIInChI=1S/C8H14FNS/c9-8(2-1-3-8)6-10-7-4-11-5-7/h7,10H,1-6H2
InChIKeyQMMFCWKWRASCBH-UHFFFAOYSA-N
XLogP1.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-fluorocyclobutyl)methyl]thietan-3-amine?
The IUPAC name of N-[(1-fluorocyclobutyl)methyl]thietan-3-amine (CID 130806683) is N-[(1-fluorocyclobutyl)methyl]thietan-3-amine.
What is the SMILES notation for N-[(1-fluorocyclobutyl)methyl]thietan-3-amine?
The canonical SMILES for N-[(1-fluorocyclobutyl)methyl]thietan-3-amine is FC1(CNC2CSC2)CCC1.
What is the InChIKey of N-[(1-fluorocyclobutyl)methyl]thietan-3-amine?
The InChIKey is QMMFCWKWRASCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNS/c9-8(2-1-3-8)6-10-7-4-11-5-7/h7,10H,1-6H2.
What are the key properties of N-[(1-fluorocyclobutyl)methyl]thietan-3-amine?
N-[(1-fluorocyclobutyl)methyl]thietan-3-amine has a molecular weight of 175.27 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-fluorocyclobutyl)methyl]thietan-3-amine is sourced from PubChem (CID 130806683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).