N-(3-fluoropropyl)oxolan-3-amine

C7H14FNO — CID 81106710

IUPACN-(3-fluoropropyl)oxolan-3-amine
SMILESFCCCNC1CCOC1
InChIInChI=1S/C7H14FNO/c8-3-1-4-9-7-2-5-10-6-7/h7,9H,1-6H2
InChIKeyDENPHXLMKKHCET-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.72
Rot. Bonds4

About N-(3-fluoropropyl)oxolan-3-amine

N-(3-fluoropropyl)oxolan-3-amine (PubChem CID 81106710) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is N-(3-fluoropropyl)oxolan-3-amine.

Molecular Properties

Compound NameN-(3-fluoropropyl)oxolan-3-amine
PubChem CID81106710
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC NameN-(3-fluoropropyl)oxolan-3-amine
SMILESFCCCNC1CCOC1
InChIInChI=1S/C7H14FNO/c8-3-1-4-9-7-2-5-10-6-7/h7,9H,1-6H2
InChIKeyDENPHXLMKKHCET-UHFFFAOYSA-N
XLogP0.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)oxolan-3-amine?
The IUPAC name of N-(3-fluoropropyl)oxolan-3-amine (CID 81106710) is N-(3-fluoropropyl)oxolan-3-amine.
What is the SMILES notation for N-(3-fluoropropyl)oxolan-3-amine?
The canonical SMILES for N-(3-fluoropropyl)oxolan-3-amine is FCCCNC1CCOC1.
What is the InChIKey of N-(3-fluoropropyl)oxolan-3-amine?
The InChIKey is DENPHXLMKKHCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c8-3-1-4-9-7-2-5-10-6-7/h7,9H,1-6H2.
What are the key properties of N-(3-fluoropropyl)oxolan-3-amine?
N-(3-fluoropropyl)oxolan-3-amine has a molecular weight of 147.19 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)oxolan-3-amine is sourced from PubChem (CID 81106710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).