1-(1-cyclohexylethyl)-3-fluoroazetidine

C11H20FN — CID 130977995

IUPAC1-(1-cyclohexylethyl)-3-fluoroazetidine
SMILESCC(C1CCCCC1)N1CC(F)C1
InChIInChI=1S/C11H20FN/c1-9(13-7-11(12)8-13)10-5-3-2-4-6-10/h9-11H,2-8H2,1H3
InChIKeyMPLLVLGRTVSOKP-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.61
Rot. Bonds2

About 1-(1-cyclohexylethyl)-3-fluoroazetidine

1-(1-cyclohexylethyl)-3-fluoroazetidine (PubChem CID 130977995) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 1-(1-cyclohexylethyl)-3-fluoroazetidine.

Molecular Properties

Compound Name1-(1-cyclohexylethyl)-3-fluoroazetidine
PubChem CID130977995
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name1-(1-cyclohexylethyl)-3-fluoroazetidine
SMILESCC(C1CCCCC1)N1CC(F)C1
InChIInChI=1S/C11H20FN/c1-9(13-7-11(12)8-13)10-5-3-2-4-6-10/h9-11H,2-8H2,1H3
InChIKeyMPLLVLGRTVSOKP-UHFFFAOYSA-N
XLogP2.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(1-cyclohexylethyl)piperidin-4-yl]ethanamine
CID 63596713
4-(1-cyclohexylethyl)morpholine-2,6-dione
CID 63788190
1-(3-fluoroazetidin-1-yl)ethanethiol
CID 130205321
6-fluoro-1,4-di(propan-2-yl)-1,4-diazepane
CID 153291266
5-tert-butyl-2-(1-cyclopropylethyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 155451610
3-fluoro-1-pentan-2-ylazetidine
CID 126993950
1-(1-cyclohexylethyl)-3-ethylpiperidin-4-amine
CID 81457020
1-(1-cyclohexylethyl)-N-ethylpiperidin-4-amine
CID 62406841
[1-(1-cyclopentylethyl)pyrrolidin-3-yl]methanamine
CID 62632841
5-(1-cyclopropylethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66213526
ethane;2-[1-(3-fluoroazetidin-1-yl)ethyl]-4-methylmorpholine
CID 177158594
1-(1-cyclopentylethyl)pyrrolidine-3-carboxylic acid
CID 65066559

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylethyl)-3-fluoroazetidine?
The IUPAC name of 1-(1-cyclohexylethyl)-3-fluoroazetidine (CID 130977995) is 1-(1-cyclohexylethyl)-3-fluoroazetidine.
What is the SMILES notation for 1-(1-cyclohexylethyl)-3-fluoroazetidine?
The canonical SMILES for 1-(1-cyclohexylethyl)-3-fluoroazetidine is CC(C1CCCCC1)N1CC(F)C1.
What is the InChIKey of 1-(1-cyclohexylethyl)-3-fluoroazetidine?
The InChIKey is MPLLVLGRTVSOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-9(13-7-11(12)8-13)10-5-3-2-4-6-10/h9-11H,2-8H2,1H3.
What are the key properties of 1-(1-cyclohexylethyl)-3-fluoroazetidine?
1-(1-cyclohexylethyl)-3-fluoroazetidine has a molecular weight of 185.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylethyl)-3-fluoroazetidine is sourced from PubChem (CID 130977995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).