1-(1-fluoropropan-2-yl)-3-pentan-2-ylazetidine

C11H22FN — CID 139394488

IUPAC1-(1-fluoropropan-2-yl)-3-pentan-2-ylazetidine
SMILESCCCC(C)C1CN(C(C)CF)C1
InChIInChI=1S/C11H22FN/c1-4-5-9(2)11-7-13(8-11)10(3)6-12/h9-11H,4-8H2,1-3H3
InChIKeyPUQHBFWBZWTYAE-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.71
Rot. Bonds5

About 1-(1-fluoropropan-2-yl)-3-pentan-2-ylazetidine

1-(1-fluoropropan-2-yl)-3-pentan-2-ylazetidine (PubChem CID 139394488) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 1-(1-fluoropropan-2-yl)-3-pentan-2-ylazetidine.

Molecular Properties

Compound Name1-(1-fluoropropan-2-yl)-3-pentan-2-ylazetidine
PubChem CID139394488
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name1-(1-fluoropropan-2-yl)-3-pentan-2-ylazetidine
SMILESCCCC(C)C1CN(C(C)CF)C1
InChIInChI=1S/C11H22FN/c1-4-5-9(2)11-7-13(8-11)10(3)6-12/h9-11H,4-8H2,1-3H3
InChIKeyPUQHBFWBZWTYAE-UHFFFAOYSA-N
XLogP2.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1-fluoropropan-2-yl)-3-pentan-2-ylazetidine?
The IUPAC name of 1-(1-fluoropropan-2-yl)-3-pentan-2-ylazetidine (CID 139394488) is 1-(1-fluoropropan-2-yl)-3-pentan-2-ylazetidine.
What is the SMILES notation for 1-(1-fluoropropan-2-yl)-3-pentan-2-ylazetidine?
The canonical SMILES for 1-(1-fluoropropan-2-yl)-3-pentan-2-ylazetidine is CCCC(C)C1CN(C(C)CF)C1.
What is the InChIKey of 1-(1-fluoropropan-2-yl)-3-pentan-2-ylazetidine?
The InChIKey is PUQHBFWBZWTYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-4-5-9(2)11-7-13(8-11)10(3)6-12/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-(1-fluoropropan-2-yl)-3-pentan-2-ylazetidine?
1-(1-fluoropropan-2-yl)-3-pentan-2-ylazetidine has a molecular weight of 187.30 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-fluoropropan-2-yl)-3-pentan-2-ylazetidine is sourced from PubChem (CID 139394488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).