1-(cyclopropylmethyl)-3-fluoroazetidine

C7H12FN — CID 131037044

IUPAC1-(cyclopropylmethyl)-3-fluoroazetidine
SMILESFC1CN(CC2CC2)C1
InChIInChI=1S/C7H12FN/c8-7-4-9(5-7)3-6-1-2-6/h6-7H,1-5H2
InChIKeyVIASLPMOBDMODU-UHFFFAOYSA-N
MW129.18 g/mol
LogP1.05
Rot. Bonds2

About 1-(cyclopropylmethyl)-3-fluoroazetidine

1-(cyclopropylmethyl)-3-fluoroazetidine (PubChem CID 131037044) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-fluoroazetidine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-fluoroazetidine
PubChem CID131037044
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name1-(cyclopropylmethyl)-3-fluoroazetidine
SMILESFC1CN(CC2CC2)C1
InChIInChI=1S/C7H12FN/c8-7-4-9(5-7)3-6-1-2-6/h6-7H,1-5H2
InChIKeyVIASLPMOBDMODU-UHFFFAOYSA-N
XLogP1.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-fluoroazetidine?
The IUPAC name of 1-(cyclopropylmethyl)-3-fluoroazetidine (CID 131037044) is 1-(cyclopropylmethyl)-3-fluoroazetidine.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-fluoroazetidine?
The canonical SMILES for 1-(cyclopropylmethyl)-3-fluoroazetidine is FC1CN(CC2CC2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-fluoroazetidine?
The InChIKey is VIASLPMOBDMODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FN/c8-7-4-9(5-7)3-6-1-2-6/h6-7H,1-5H2.
What are the key properties of 1-(cyclopropylmethyl)-3-fluoroazetidine?
1-(cyclopropylmethyl)-3-fluoroazetidine has a molecular weight of 129.18 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-fluoroazetidine is sourced from PubChem (CID 131037044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).