(3S,4S)-3-fluoro-N-methyloxan-4-amine

C6H12FNO — CID 135393211

IUPAC(3S,4S)-3-fluoro-N-methyloxan-4-amine
SMILESCN[C@H]1CCOC[C@H]1F
InChIInChI=1S/C6H12FNO/c1-8-6-2-3-9-4-5(6)7/h5-6,8H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyKNIHUQZEHNEUHH-RITPCOANSA-N
MW133.17 g/mol
LogP0.33
Rot. Bonds1

About (3S,4S)-3-fluoro-N-methyloxan-4-amine

(3S,4S)-3-fluoro-N-methyloxan-4-amine (PubChem CID 135393211) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is (3S,4S)-3-fluoro-N-methyloxan-4-amine.

Molecular Properties

Compound Name(3S,4S)-3-fluoro-N-methyloxan-4-amine
PubChem CID135393211
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name(3S,4S)-3-fluoro-N-methyloxan-4-amine
SMILESCN[C@H]1CCOC[C@H]1F
InChIInChI=1S/C6H12FNO/c1-8-6-2-3-9-4-5(6)7/h5-6,8H,2-4H2,1H3/t5-,6+/m1/s1
InChIKeyKNIHUQZEHNEUHH-RITPCOANSA-N
XLogP0.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-fluoro-N-methyloxan-4-amine?
The IUPAC name of (3S,4S)-3-fluoro-N-methyloxan-4-amine (CID 135393211) is (3S,4S)-3-fluoro-N-methyloxan-4-amine.
What is the SMILES notation for (3S,4S)-3-fluoro-N-methyloxan-4-amine?
The canonical SMILES for (3S,4S)-3-fluoro-N-methyloxan-4-amine is CN[C@H]1CCOC[C@H]1F.
What is the InChIKey of (3S,4S)-3-fluoro-N-methyloxan-4-amine?
The InChIKey is KNIHUQZEHNEUHH-RITPCOANSA-N. The full InChI is InChI=1S/C6H12FNO/c1-8-6-2-3-9-4-5(6)7/h5-6,8H,2-4H2,1H3/t5-,6+/m1/s1.
What are the key properties of (3S,4S)-3-fluoro-N-methyloxan-4-amine?
(3S,4S)-3-fluoro-N-methyloxan-4-amine has a molecular weight of 133.17 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-fluoro-N-methyloxan-4-amine is sourced from PubChem (CID 135393211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).