4-(fluoromethyl)oxan-4-amine

C6H12FNO — CID 84762372

IUPAC4-(fluoromethyl)oxan-4-amine
SMILESNC1(CF)CCOCC1
InChIInChI=1S/C6H12FNO/c7-5-6(8)1-3-9-4-2-6/h1-5,8H2
InChIKeyYGHRXBQDVCIGNF-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.46
Rot. Bonds1

About 4-(fluoromethyl)oxan-4-amine

4-(fluoromethyl)oxan-4-amine (PubChem CID 84762372) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 4-(fluoromethyl)oxan-4-amine.

Molecular Properties

Compound Name4-(fluoromethyl)oxan-4-amine
PubChem CID84762372
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name4-(fluoromethyl)oxan-4-amine
SMILESNC1(CF)CCOCC1
InChIInChI=1S/C6H12FNO/c7-5-6(8)1-3-9-4-2-6/h1-5,8H2
InChIKeyYGHRXBQDVCIGNF-UHFFFAOYSA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)oxan-4-amine?
The IUPAC name of 4-(fluoromethyl)oxan-4-amine (CID 84762372) is 4-(fluoromethyl)oxan-4-amine.
What is the SMILES notation for 4-(fluoromethyl)oxan-4-amine?
The canonical SMILES for 4-(fluoromethyl)oxan-4-amine is NC1(CF)CCOCC1.
What is the InChIKey of 4-(fluoromethyl)oxan-4-amine?
The InChIKey is YGHRXBQDVCIGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c7-5-6(8)1-3-9-4-2-6/h1-5,8H2.
What are the key properties of 4-(fluoromethyl)oxan-4-amine?
4-(fluoromethyl)oxan-4-amine has a molecular weight of 133.17 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)oxan-4-amine is sourced from PubChem (CID 84762372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).