1-[(1S,2R)-2-fluorocyclohexyl]azetidine

C9H16FN — CID 58117067

IUPAC1-[(1S,2R)-2-fluorocyclohexyl]azetidine
SMILESF[C@@H]1CCCC[C@@H]1N1CCC1
InChIInChI=1S/C9H16FN/c10-8-4-1-2-5-9(8)11-6-3-7-11/h8-9H,1-7H2/t8-,9+/m1/s1
InChIKeyUDHRTXHXCMOSSE-BDAKNGLRSA-N
MW157.23 g/mol
LogP1.97
Rot. Bonds1

About 1-[(1S,2R)-2-fluorocyclohexyl]azetidine

1-[(1S,2R)-2-fluorocyclohexyl]azetidine (PubChem CID 58117067) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 1-[(1S,2R)-2-fluorocyclohexyl]azetidine.

Molecular Properties

Compound Name1-[(1S,2R)-2-fluorocyclohexyl]azetidine
PubChem CID58117067
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name1-[(1S,2R)-2-fluorocyclohexyl]azetidine
SMILESF[C@@H]1CCCC[C@@H]1N1CCC1
InChIInChI=1S/C9H16FN/c10-8-4-1-2-5-9(8)11-6-3-7-11/h8-9H,1-7H2/t8-,9+/m1/s1
InChIKeyUDHRTXHXCMOSSE-BDAKNGLRSA-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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Related Compounds

N-(2-fluoro-2-methylpropyl)-N-methylcyclohexanamine
CID 14530957
1-Cyclohexylazetidine
CID 544760
N-ethyl-N-(2-fluoroethyl)cyclohexanamine
CID 57112014
1-Cyclohexyl-3-fluoroazetidine
CID 58117107
1-(2-Fluorocyclohexyl)azetidine
CID 58117116
1-Cyclohexyl-3,3-difluoroazetidine
CID 58117131
3-Fluoro-1-heptan-4-ylazetidine
CID 123397834
(2R)-2-(1-fluoroethyl)-1-propan-2-ylazetidine
CID 124098064
(2S)-2-(1-fluoroethyl)-1-propan-2-ylazetidine
CID 124098065
N-(2-Fluoroethyl)-N-methylcyclohexanamine
CID 126988464
3-Fluoro-1-pentan-2-ylazetidine
CID 126993950
N-(3-fluoropropyl)-N-methylcyclohexanamine
CID 134459229

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,2R)-2-fluorocyclohexyl]azetidine?
The IUPAC name of 1-[(1S,2R)-2-fluorocyclohexyl]azetidine (CID 58117067) is 1-[(1S,2R)-2-fluorocyclohexyl]azetidine.
What is the SMILES notation for 1-[(1S,2R)-2-fluorocyclohexyl]azetidine?
The canonical SMILES for 1-[(1S,2R)-2-fluorocyclohexyl]azetidine is F[C@@H]1CCCC[C@@H]1N1CCC1.
What is the InChIKey of 1-[(1S,2R)-2-fluorocyclohexyl]azetidine?
The InChIKey is UDHRTXHXCMOSSE-BDAKNGLRSA-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/t8-,9+/m1/s1.
What are the key properties of 1-[(1S,2R)-2-fluorocyclohexyl]azetidine?
1-[(1S,2R)-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-[(1S,2R)-2-fluorocyclohexyl]azetidine is sourced from PubChem (CID 58117067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).