(5-fluorothiepan-4-yl)methanamine

C7H14FNS — CID 84764717

IUPAC(5-fluorothiepan-4-yl)methanamine
SMILESNCC1CCSCCC1F
InChIInChI=1S/C7H14FNS/c8-7-2-4-10-3-1-6(7)5-9/h6-7H,1-5,9H2
InChIKeyQMIDMJGCSZMUAJ-UHFFFAOYSA-N
MW163.26 g/mol
LogP1.43
Rot. Bonds1

About (5-fluorothiepan-4-yl)methanamine

(5-fluorothiepan-4-yl)methanamine (PubChem CID 84764717) has the molecular formula C7H14FNS and a molecular weight of 163.26 g/mol. Its IUPAC name is (5-fluorothiepan-4-yl)methanamine.

Molecular Properties

Compound Name(5-fluorothiepan-4-yl)methanamine
PubChem CID84764717
Molecular FormulaC7H14FNS
Molecular Weight163.26 g/mol
Exact Mass163.08
IUPAC Name(5-fluorothiepan-4-yl)methanamine
SMILESNCC1CCSCCC1F
InChIInChI=1S/C7H14FNS/c8-7-2-4-10-3-1-6(7)5-9/h6-7H,1-5,9H2
InChIKeyQMIDMJGCSZMUAJ-UHFFFAOYSA-N
XLogP1.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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 (5-fluorothiepan-4-yl)methanamine?
The IUPAC name of (5-fluorothiepan-4-yl)methanamine (CID 84764717) is (5-fluorothiepan-4-yl)methanamine.
What is the SMILES notation for (5-fluorothiepan-4-yl)methanamine?
The canonical SMILES for (5-fluorothiepan-4-yl)methanamine is NCC1CCSCCC1F.
What is the InChIKey of (5-fluorothiepan-4-yl)methanamine?
The InChIKey is QMIDMJGCSZMUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNS/c8-7-2-4-10-3-1-6(7)5-9/h6-7H,1-5,9H2.
What are the key properties of (5-fluorothiepan-4-yl)methanamine?
(5-fluorothiepan-4-yl)methanamine has a molecular weight of 163.26 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluorothiepan-4-yl)methanamine is sourced from PubChem (CID 84764717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).