4-(fluoromethyl)-1-thia-7-azaspiro[4.4]nonane

C8H14FNS — CID 71306211

IUPAC4-(fluoromethyl)-1-thia-7-azaspiro[4.4]nonane
SMILESFCC1CCSC12CCNC2
InChIInChI=1S/C8H14FNS/c9-5-7-1-4-11-8(7)2-3-10-6-8/h7,10H,1-6H2
InChIKeyOOIKDIDANNCXQA-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.44
Rot. Bonds1

About 4-(fluoromethyl)-1-thia-7-azaspiro[4.4]nonane

4-(fluoromethyl)-1-thia-7-azaspiro[4.4]nonane (PubChem CID 71306211) has the molecular formula C8H14FNS and a molecular weight of 175.27 g/mol. Its IUPAC name is 4-(fluoromethyl)-1-thia-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name4-(fluoromethyl)-1-thia-7-azaspiro[4.4]nonane
PubChem CID71306211
Molecular FormulaC8H14FNS
Molecular Weight175.27 g/mol
Exact Mass175.08
IUPAC Name4-(fluoromethyl)-1-thia-7-azaspiro[4.4]nonane
SMILESFCC1CCSC12CCNC2
InChIInChI=1S/C8H14FNS/c9-5-7-1-4-11-8(7)2-3-10-6-8/h7,10H,1-6H2
InChIKeyOOIKDIDANNCXQA-UHFFFAOYSA-N
XLogP1.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Difluoromethyl)-1-thia-8-azaspiro[4.5]decane
CID 71306123
4-(Fluoromethyl)-1lambda6-thia-7-azaspiro[4.4]nonane 1,1-dioxide
CID 71306124
4-(Fluoromethyl)-1-thia-9-azaspiro[4.6]undecane
CID 71306131
4-(Difluoromethyl)-1-thia-7-azaspiro[4.4]nonane
CID 71306166
4-(Fluoromethyl)-1-thia-8-azaspiro[4.5]decane
CID 71306178
3-Fluoro-3-(thian-4-yl)pyrrolidine
CID 83817907
(4S,5R)-4-(fluoromethyl)-1lambda6-thia-7-azaspiro[4.4]nonane 1,1-dioxide
CID 97112361
(4S,5S)-4-(fluoromethyl)-1lambda6-thia-7-azaspiro[4.4]nonane 1,1-dioxide
CID 97112362
(4R,5R)-4-(fluoromethyl)-1lambda6-thia-7-azaspiro[4.4]nonane 1,1-dioxide
CID 97112363
(4R,5S)-4-(fluoromethyl)-1lambda6-thia-7-azaspiro[4.4]nonane 1,1-dioxide
CID 97112364
(4S,5S)-4-(Fluoromethyl)-1-thia-8-azaspiro[4.6]undecane
CID 97112375
3-fluoro-N-methyl-3-(thiolan-3-yl)propan-1-amine
CID 105437223

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1-thia-7-azaspiro[4.4]nonane?
The IUPAC name of 4-(fluoromethyl)-1-thia-7-azaspiro[4.4]nonane (CID 71306211) is 4-(fluoromethyl)-1-thia-7-azaspiro[4.4]nonane.
What is the SMILES notation for 4-(fluoromethyl)-1-thia-7-azaspiro[4.4]nonane?
The canonical SMILES for 4-(fluoromethyl)-1-thia-7-azaspiro[4.4]nonane is FCC1CCSC12CCNC2.
What is the InChIKey of 4-(fluoromethyl)-1-thia-7-azaspiro[4.4]nonane?
The InChIKey is OOIKDIDANNCXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNS/c9-5-7-1-4-11-8(7)2-3-10-6-8/h7,10H,1-6H2.
What are the key properties of 4-(fluoromethyl)-1-thia-7-azaspiro[4.4]nonane?
4-(fluoromethyl)-1-thia-7-azaspiro[4.4]nonane has a molecular weight of 175.27 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1-thia-7-azaspiro[4.4]nonane is sourced from PubChem (CID 71306211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).