ethane;3-fluoro-3-methyl-1-propylazetidine

C9H20FN — CID 153356034

IUPACethane;3-fluoro-3-methyl-1-propylazetidine
SMILESCC.CCCN1CC(C)(F)C1
InChIInChI=1S/C7H14FN.C2H6/c1-3-4-9-5-7(2,8)6-9;1-2/h3-6H2,1-2H3;1-2H3
InChIKeyXTKNZPJOSBDQSL-UHFFFAOYSA-N
MW161.26 g/mol
LogP2.47
Rot. Bonds2

About ethane;3-fluoro-3-methyl-1-propylazetidine

ethane;3-fluoro-3-methyl-1-propylazetidine (PubChem CID 153356034) has the molecular formula C9H20FN and a molecular weight of 161.26 g/mol. Its IUPAC name is ethane;3-fluoro-3-methyl-1-propylazetidine.

Molecular Properties

Compound Nameethane;3-fluoro-3-methyl-1-propylazetidine
PubChem CID153356034
Molecular FormulaC9H20FN
Molecular Weight161.26 g/mol
Exact Mass161.16
IUPAC Nameethane;3-fluoro-3-methyl-1-propylazetidine
SMILESCC.CCCN1CC(C)(F)C1
InChIInChI=1S/C7H14FN.C2H6/c1-3-4-9-5-7(2,8)6-9;1-2/h3-6H2,1-2H3;1-2H3
InChIKeyXTKNZPJOSBDQSL-UHFFFAOYSA-N
XLogP2.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.26
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-fluoro-3-methyl-1-propylpyrrolidine
CID 177367853
ethane;1-ethyl-3-fluoro-3-methylazetidine
CID 178155660
3-fluoro-3-propan-2-yl-1-propylazetidine
CID 163258527
3-ethyl-3-fluoro-1-pentylazetidine
CID 174282270
3,3-difluoro-1-propylpiperazine
CID 130434381
3-fluoro-1,3-dimethylazetidine
CID 89296536
ethane;2-propyl-6-oxa-2-azaspiro[3.4]octane
CID 171514883
ethane;1-ethyl-3,3-difluoro-4,4-dimethylpyrrolidine
CID 144847221
3-fluoro-1-(2-iodoethyl)-3-methylpyrrolidine
CID 127002189
4,4-dimethyl-1-propylazocane;ethane
CID 144928952
3,3-difluoro-1-(3-fluorohexyl)azetidine
CID 139476963
ethane;2-ethyl-7-fluoro-7-methyl-2-azaspiro[3.5]nonane
CID 168970742

Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-3-methyl-1-propylazetidine?
The IUPAC name of ethane;3-fluoro-3-methyl-1-propylazetidine (CID 153356034) is ethane;3-fluoro-3-methyl-1-propylazetidine.
What is the SMILES notation for ethane;3-fluoro-3-methyl-1-propylazetidine?
The canonical SMILES for ethane;3-fluoro-3-methyl-1-propylazetidine is CC.CCCN1CC(C)(F)C1.
What is the InChIKey of ethane;3-fluoro-3-methyl-1-propylazetidine?
The InChIKey is XTKNZPJOSBDQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN.C2H6/c1-3-4-9-5-7(2,8)6-9;1-2/h3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;3-fluoro-3-methyl-1-propylazetidine?
ethane;3-fluoro-3-methyl-1-propylazetidine has a molecular weight of 161.26 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-3-methyl-1-propylazetidine is sourced from PubChem (CID 153356034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).