2-fluoro-3-(oxolan-3-yl)propan-1-amine

C7H14FNO — CID 105429059

IUPAC2-fluoro-3-(oxolan-3-yl)propan-1-amine
SMILESNCC(F)CC1CCOC1
InChIInChI=1S/C7H14FNO/c8-7(4-9)3-6-1-2-10-5-6/h6-7H,1-5,9H2
InChIKeyUOJRGYGVQSEBPS-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.71
Rot. Bonds3

About 2-fluoro-3-(oxolan-3-yl)propan-1-amine

2-fluoro-3-(oxolan-3-yl)propan-1-amine (PubChem CID 105429059) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 2-fluoro-3-(oxolan-3-yl)propan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-(oxolan-3-yl)propan-1-amine
PubChem CID105429059
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name2-fluoro-3-(oxolan-3-yl)propan-1-amine
SMILESNCC(F)CC1CCOC1
InChIInChI=1S/C7H14FNO/c8-7(4-9)3-6-1-2-10-5-6/h6-7H,1-5,9H2
InChIKeyUOJRGYGVQSEBPS-UHFFFAOYSA-N
XLogP0.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(oxolan-3-yl)propan-1-amine?
The IUPAC name of 2-fluoro-3-(oxolan-3-yl)propan-1-amine (CID 105429059) is 2-fluoro-3-(oxolan-3-yl)propan-1-amine.
What is the SMILES notation for 2-fluoro-3-(oxolan-3-yl)propan-1-amine?
The canonical SMILES for 2-fluoro-3-(oxolan-3-yl)propan-1-amine is NCC(F)CC1CCOC1.
What is the InChIKey of 2-fluoro-3-(oxolan-3-yl)propan-1-amine?
The InChIKey is UOJRGYGVQSEBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c8-7(4-9)3-6-1-2-10-5-6/h6-7H,1-5,9H2.
What are the key properties of 2-fluoro-3-(oxolan-3-yl)propan-1-amine?
2-fluoro-3-(oxolan-3-yl)propan-1-amine has a molecular weight of 147.19 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(oxolan-3-yl)propan-1-amine is sourced from PubChem (CID 105429059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).