2-cyclopropyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine

C12H22FNO — CID 112567062

IUPAC2-cyclopropyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine
SMILESNCC(F)(CCCC1CCCO1)C1CC1
InChIInChI=1S/C12H22FNO/c13-12(9-14,10-5-6-10)7-1-3-11-4-2-8-15-11/h10-11H,1-9,14H2
InChIKeyYMZDLRFQGMCYJU-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.41
Rot. Bonds6

About 2-cyclopropyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine

2-cyclopropyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine (PubChem CID 112567062) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine.

Molecular Properties

Compound Name2-cyclopropyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine
PubChem CID112567062
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name2-cyclopropyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine
SMILESNCC(F)(CCCC1CCCO1)C1CC1
InChIInChI=1S/C12H22FNO/c13-12(9-14,10-5-6-10)7-1-3-11-4-2-8-15-11/h10-11H,1-9,14H2
InChIKeyYMZDLRFQGMCYJU-UHFFFAOYSA-N
XLogP2.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine?
The IUPAC name of 2-cyclopropyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine (CID 112567062) is 2-cyclopropyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine.
What is the SMILES notation for 2-cyclopropyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine?
The canonical SMILES for 2-cyclopropyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine is NCC(F)(CCCC1CCCO1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine?
The InChIKey is YMZDLRFQGMCYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c13-12(9-14,10-5-6-10)7-1-3-11-4-2-8-15-11/h10-11H,1-9,14H2.
What are the key properties of 2-cyclopropyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine?
2-cyclopropyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine has a molecular weight of 215.31 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-fluoro-5-(oxolan-2-yl)pentan-1-amine is sourced from PubChem (CID 112567062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).