ethane;3-(1-fluoropropyl)-3-propylazetidine

C11H24FN — CID 166077655

IUPACethane;3-(1-fluoropropyl)-3-propylazetidine
SMILESCC.CCCC1(C(F)CC)CNC1
InChIInChI=1S/C9H18FN.C2H6/c1-3-5-9(6-11-7-9)8(10)4-2;1-2/h8,11H,3-7H2,1-2H3;1-2H3
InChIKeyGDUZEOBXCQNLOO-UHFFFAOYSA-N
MW189.32 g/mol
LogP3.15
Rot. Bonds4

About ethane;3-(1-fluoropropyl)-3-propylazetidine

ethane;3-(1-fluoropropyl)-3-propylazetidine (PubChem CID 166077655) has the molecular formula C11H24FN and a molecular weight of 189.32 g/mol. Its IUPAC name is ethane;3-(1-fluoropropyl)-3-propylazetidine.

Molecular Properties

Compound Nameethane;3-(1-fluoropropyl)-3-propylazetidine
PubChem CID166077655
Molecular FormulaC11H24FN
Molecular Weight189.32 g/mol
Exact Mass189.19
IUPAC Nameethane;3-(1-fluoropropyl)-3-propylazetidine
SMILESCC.CCCC1(C(F)CC)CNC1
InChIInChI=1S/C9H18FN.C2H6/c1-3-5-9(6-11-7-9)8(10)4-2;1-2/h8,11H,3-7H2,1-2H3;1-2H3
InChIKeyGDUZEOBXCQNLOO-UHFFFAOYSA-N
XLogP3.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7,7-Dimethyl-2-azaspiro[3.5]nonane
CID 166871782
2-butyl-2-ethyl-N-methylhexan-1-amine
CID 63507209
N-(2-fluoroethyl)-4,4-dimethylhexan-1-amine
CID 129033933
3-Fluoro-3-(3-methylbutan-2-yl)azetidine
CID 131213806
7-Fluoro-2-azaspiro[3.5]nonane
CID 131538422
1-fluoro-N,4,4-trimethylheptan-1-amine
CID 132134976
3-Fluoro-3-(2-methylhexyl)azetidine
CID 155094729
4-fluoro-N,6,6-trimethylheptan-1-amine
CID 155400582
3-(2,2-Dimethylpropyl)-3-fluoroazetidine
CID 164779239
3-Ethyl-3-(1-fluoropropyl)azetidine
CID 167037643
3-ethyl-5-fluoro-N,3-dimethylhexan-1-amine
CID 167073692
2-butyl-4,4-difluoro-N-methyl-2-propylhexan-1-amine
CID 168880780

Frequently Asked Questions

What is the IUPAC name of ethane;3-(1-fluoropropyl)-3-propylazetidine?
The IUPAC name of ethane;3-(1-fluoropropyl)-3-propylazetidine (CID 166077655) is ethane;3-(1-fluoropropyl)-3-propylazetidine.
What is the SMILES notation for ethane;3-(1-fluoropropyl)-3-propylazetidine?
The canonical SMILES for ethane;3-(1-fluoropropyl)-3-propylazetidine is CC.CCCC1(C(F)CC)CNC1.
What is the InChIKey of ethane;3-(1-fluoropropyl)-3-propylazetidine?
The InChIKey is GDUZEOBXCQNLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN.C2H6/c1-3-5-9(6-11-7-9)8(10)4-2;1-2/h8,11H,3-7H2,1-2H3;1-2H3.
What are the key properties of ethane;3-(1-fluoropropyl)-3-propylazetidine?
ethane;3-(1-fluoropropyl)-3-propylazetidine has a molecular weight of 189.32 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(1-fluoropropyl)-3-propylazetidine is sourced from PubChem (CID 166077655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).