1-(2-fluorocyclohexyl)azetidine

C9H16FN — CID 58117116

IUPAC1-(2-fluorocyclohexyl)azetidine
SMILESFC1CCCCC1N1CCC1
InChIInChI=1S/C9H16FN/c10-8-4-1-2-5-9(8)11-6-3-7-11/h8-9H,1-7H2
InChIKeyUDHRTXHXCMOSSE-UHFFFAOYSA-N
MW157.23 g/mol
LogP1.97
Rot. Bonds1

About 1-(2-fluorocyclohexyl)azetidine

1-(2-fluorocyclohexyl)azetidine (PubChem CID 58117116) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 1-(2-fluorocyclohexyl)azetidine.

Molecular Properties

Compound Name1-(2-fluorocyclohexyl)azetidine
PubChem CID58117116
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name1-(2-fluorocyclohexyl)azetidine
SMILESFC1CCCCC1N1CCC1
InChIInChI=1S/C9H16FN/c10-8-4-1-2-5-9(8)11-6-3-7-11/h8-9H,1-7H2
InChIKeyUDHRTXHXCMOSSE-UHFFFAOYSA-N
XLogP1.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorocyclohexyl)azetidine?
The IUPAC name of 1-(2-fluorocyclohexyl)azetidine (CID 58117116) is 1-(2-fluorocyclohexyl)azetidine.
What is the SMILES notation for 1-(2-fluorocyclohexyl)azetidine?
The canonical SMILES for 1-(2-fluorocyclohexyl)azetidine is FC1CCCCC1N1CCC1.
What is the InChIKey of 1-(2-fluorocyclohexyl)azetidine?
The InChIKey is UDHRTXHXCMOSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c10-8-4-1-2-5-9(8)11-6-3-7-11/h8-9H,1-7H2.
What are the key properties of 1-(2-fluorocyclohexyl)azetidine?
1-(2-fluorocyclohexyl)azetidine has a molecular weight of 157.23 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorocyclohexyl)azetidine is sourced from PubChem (CID 58117116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).