(3R,4S)-4-fluoro-N-propyloxolan-3-amine

C7H14FNO — CID 126847868

IUPAC(3R,4S)-4-fluoro-N-propyloxolan-3-amine
SMILESCCCN[C@@H]1COC[C@H]1F
InChIInChI=1S/C7H14FNO/c1-2-3-9-7-5-10-4-6(7)8/h6-7,9H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyYFGLOBRXTFTJLF-RNFRBKRXSA-N
MW147.19 g/mol
LogP0.72
Rot. Bonds3

About (3R,4S)-4-fluoro-N-propyloxolan-3-amine

(3R,4S)-4-fluoro-N-propyloxolan-3-amine (PubChem CID 126847868) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is (3R,4S)-4-fluoro-N-propyloxolan-3-amine.

Molecular Properties

Compound Name(3R,4S)-4-fluoro-N-propyloxolan-3-amine
PubChem CID126847868
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name(3R,4S)-4-fluoro-N-propyloxolan-3-amine
SMILESCCCN[C@@H]1COC[C@H]1F
InChIInChI=1S/C7H14FNO/c1-2-3-9-7-5-10-4-6(7)8/h6-7,9H,2-5H2,1H3/t6-,7-/m1/s1
InChIKeyYFGLOBRXTFTJLF-RNFRBKRXSA-N
XLogP0.72
TPSA21.26 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 ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-fluoro-N-propyloxolan-3-amine?
The IUPAC name of (3R,4S)-4-fluoro-N-propyloxolan-3-amine (CID 126847868) is (3R,4S)-4-fluoro-N-propyloxolan-3-amine.
What is the SMILES notation for (3R,4S)-4-fluoro-N-propyloxolan-3-amine?
The canonical SMILES for (3R,4S)-4-fluoro-N-propyloxolan-3-amine is CCCN[C@@H]1COC[C@H]1F.
What is the InChIKey of (3R,4S)-4-fluoro-N-propyloxolan-3-amine?
The InChIKey is YFGLOBRXTFTJLF-RNFRBKRXSA-N. The full InChI is InChI=1S/C7H14FNO/c1-2-3-9-7-5-10-4-6(7)8/h6-7,9H,2-5H2,1H3/t6-,7-/m1/s1.
What are the key properties of (3R,4S)-4-fluoro-N-propyloxolan-3-amine?
(3R,4S)-4-fluoro-N-propyloxolan-3-amine has a molecular weight of 147.19 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-fluoro-N-propyloxolan-3-amine is sourced from PubChem (CID 126847868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).