ethane;1-ethyl-3-fluoro-3-methylazetidine

C10H24FN — CID 178155660

IUPACethane;1-ethyl-3-fluoro-3-methylazetidine
SMILESCC.CC.CCN1CC(C)(F)C1
InChIInChI=1S/C6H12FN.2C2H6/c1-3-8-4-6(2,7)5-8;2*1-2/h3-5H2,1-2H3;2*1-2H3
InChIKeyORNRNVGVQOYTDN-UHFFFAOYSA-N
MW177.31 g/mol
LogP3.10
Rot. Bonds1

About ethane;1-ethyl-3-fluoro-3-methylazetidine

ethane;1-ethyl-3-fluoro-3-methylazetidine (PubChem CID 178155660) has the molecular formula C10H24FN and a molecular weight of 177.31 g/mol. Its IUPAC name is ethane;1-ethyl-3-fluoro-3-methylazetidine.

Molecular Properties

Compound Nameethane;1-ethyl-3-fluoro-3-methylazetidine
PubChem CID178155660
Molecular FormulaC10H24FN
Molecular Weight177.31 g/mol
Exact Mass177.19
IUPAC Nameethane;1-ethyl-3-fluoro-3-methylazetidine
SMILESCC.CC.CCN1CC(C)(F)C1
InChIInChI=1S/C6H12FN.2C2H6/c1-3-8-4-6(2,7)5-8;2*1-2/h3-5H2,1-2H3;2*1-2H3
InChIKeyORNRNVGVQOYTDN-UHFFFAOYSA-N
XLogP3.10
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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ethane;1-ethyl-3,3-difluoro-4,4-dimethylpyrrolidine
CID 144847221
ethane;3-fluoro-3-methyl-1-propylazetidine
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(3R)-3-fluoro-3-methyl-1-propylpyrrolidine
CID 177367853
3-ethyl-1,5-dimethyl-3-azabicyclo[3.3.1]nonan-9-ol
CID 130146772
2-ethyl-5-fluoro-5-methyl-2,7-diazaspiro[3.5]nonane
CID 154671164
ethane;2-ethyl-5-fluoro-5-methyl-2,7-diazaspiro[3.5]nonane
CID 154671163
(3aR,6aS)-2-ethyl-3a,6a-dimethyl-5-propan-2-yl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole
CID 170578237
2-ethyl-2-azaspiro[3.3]heptane
CID 130337259
ethane;3-ethyl-1-methyl-3-azabicyclo[3.1.0]hexane
CID 91180969
2-ethyl-5,5-difluoro-2,7-diazaspiro[3.5]nonane
CID 175631153
ethane;2-ethyl-6,6-dimethyl-5-oxa-2,8-diazaspiro[3.5]nonane
CID 155741469

Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-3-fluoro-3-methylazetidine?
The IUPAC name of ethane;1-ethyl-3-fluoro-3-methylazetidine (CID 178155660) is ethane;1-ethyl-3-fluoro-3-methylazetidine.
What is the SMILES notation for ethane;1-ethyl-3-fluoro-3-methylazetidine?
The canonical SMILES for ethane;1-ethyl-3-fluoro-3-methylazetidine is CC.CC.CCN1CC(C)(F)C1.
What is the InChIKey of ethane;1-ethyl-3-fluoro-3-methylazetidine?
The InChIKey is ORNRNVGVQOYTDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN.2C2H6/c1-3-8-4-6(2,7)5-8;2*1-2/h3-5H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-ethyl-3-fluoro-3-methylazetidine?
ethane;1-ethyl-3-fluoro-3-methylazetidine has a molecular weight of 177.31 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-3-fluoro-3-methylazetidine is sourced from PubChem (CID 178155660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).