(3-fluorooxan-4-yl)methanamine

C6H12FNO — CID 84648187

IUPAC(3-fluorooxan-4-yl)methanamine
SMILESNCC1CCOCC1F
InChIInChI=1S/C6H12FNO/c7-6-4-9-2-1-5(6)3-8/h5-6H,1-4,8H2
InChIKeyCFSAZDXITCSOPG-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.32
Rot. Bonds1

About (3-fluorooxan-4-yl)methanamine

(3-fluorooxan-4-yl)methanamine (PubChem CID 84648187) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is (3-fluorooxan-4-yl)methanamine.

Molecular Properties

Compound Name(3-fluorooxan-4-yl)methanamine
PubChem CID84648187
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name(3-fluorooxan-4-yl)methanamine
SMILESNCC1CCOCC1F
InChIInChI=1S/C6H12FNO/c7-6-4-9-2-1-5(6)3-8/h5-6H,1-4,8H2
InChIKeyCFSAZDXITCSOPG-UHFFFAOYSA-N
XLogP0.32
TPSA35.25 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 ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R,4R)-3-bromooxan-4-yl]methanamine
CID 124709001
2-(3-fluorooxan-4-yl)acetic acid
CID 84764462
(3R,4S)-4-fluorooxan-3-amine
CID 86337690
[(3R,4S)-3-methoxyoxan-4-yl]methanamine
CID 67314237
(3S,4S)-3-fluoro-4-methyloxane;molecular hydrogen
CID 177003690
(4-phenyloxan-3-yl)methanamine
CID 84772062
1-[(3S,4R)-3-fluorooxan-4-yl]piperidin-4-amine
CID 118454807
2-[(3S,4R)-3-fluorooxan-4-yl]ethyl 4-methylbenzenesulfonate
CID 86707287
2-(oxolan-3-yl)ethanamine
CID 22355254
(3R,4S)-4-fluorooxolan-3-amine;hydrochloride
CID 139027088
[4-(2-methylphenyl)oxan-3-yl]methanamine
CID 84778691
4-chloro-3-(chloromethyl)oxane
CID 55303155

Frequently Asked Questions

What is the IUPAC name of (3-fluorooxan-4-yl)methanamine?
The IUPAC name of (3-fluorooxan-4-yl)methanamine (CID 84648187) is (3-fluorooxan-4-yl)methanamine.
What is the SMILES notation for (3-fluorooxan-4-yl)methanamine?
The canonical SMILES for (3-fluorooxan-4-yl)methanamine is NCC1CCOCC1F.
What is the InChIKey of (3-fluorooxan-4-yl)methanamine?
The InChIKey is CFSAZDXITCSOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c7-6-4-9-2-1-5(6)3-8/h5-6H,1-4,8H2.
What are the key properties of (3-fluorooxan-4-yl)methanamine?
(3-fluorooxan-4-yl)methanamine has a molecular weight of 133.17 g/mol, XLogP of 0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorooxan-4-yl)methanamine is sourced from PubChem (CID 84648187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).