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

C7H14FNO — CID 105429048

IUPAC1-fluoro-1-(oxolan-3-yl)propan-2-amine
SMILESCC(N)C(F)C1CCOC1
InChIInChI=1S/C7H14FNO/c1-5(9)7(8)6-2-3-10-4-6/h5-7H,2-4,9H2,1H3
InChIKeySWIPHOZPEIVTJV-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.71
Rot. Bonds2

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

1-fluoro-1-(oxolan-3-yl)propan-2-amine (PubChem CID 105429048) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 1-fluoro-1-(oxolan-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-fluoro-1-(oxolan-3-yl)propan-2-amine
PubChem CID105429048
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name1-fluoro-1-(oxolan-3-yl)propan-2-amine
SMILESCC(N)C(F)C1CCOC1
InChIInChI=1S/C7H14FNO/c1-5(9)7(8)6-2-3-10-4-6/h5-7H,2-4,9H2,1H3
InChIKeySWIPHOZPEIVTJV-UHFFFAOYSA-N
XLogP0.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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 1-fluoro-1-(oxolan-3-yl)propan-2-amine?
The IUPAC name of 1-fluoro-1-(oxolan-3-yl)propan-2-amine (CID 105429048) is 1-fluoro-1-(oxolan-3-yl)propan-2-amine.
What is the SMILES notation for 1-fluoro-1-(oxolan-3-yl)propan-2-amine?
The canonical SMILES for 1-fluoro-1-(oxolan-3-yl)propan-2-amine is CC(N)C(F)C1CCOC1.
What is the InChIKey of 1-fluoro-1-(oxolan-3-yl)propan-2-amine?
The InChIKey is SWIPHOZPEIVTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-5(9)7(8)6-2-3-10-4-6/h5-7H,2-4,9H2,1H3.
What are the key properties of 1-fluoro-1-(oxolan-3-yl)propan-2-amine?
1-fluoro-1-(oxolan-3-yl)propan-2-amine has a molecular weight of 147.19 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-1-(oxolan-3-yl)propan-2-amine is sourced from PubChem (CID 105429048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).