4-(2-fluoropropan-2-yl)oxan-4-amine

C8H16FNO — CID 84764413

IUPAC4-(2-fluoropropan-2-yl)oxan-4-amine
SMILESCC(C)(F)C1(N)CCOCC1
InChIInChI=1S/C8H16FNO/c1-7(2,9)8(10)3-5-11-6-4-8/h3-6,10H2,1-2H3
InChIKeyZHNKXTRVGQHNQX-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.24
Rot. Bonds1

About 4-(2-fluoropropan-2-yl)oxan-4-amine

4-(2-fluoropropan-2-yl)oxan-4-amine (PubChem CID 84764413) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 4-(2-fluoropropan-2-yl)oxan-4-amine.

Molecular Properties

Compound Name4-(2-fluoropropan-2-yl)oxan-4-amine
PubChem CID84764413
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name4-(2-fluoropropan-2-yl)oxan-4-amine
SMILESCC(C)(F)C1(N)CCOCC1
InChIInChI=1S/C8H16FNO/c1-7(2,9)8(10)3-5-11-6-4-8/h3-6,10H2,1-2H3
InChIKeyZHNKXTRVGQHNQX-UHFFFAOYSA-N
XLogP1.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-1-(tetrahydropyran-4-yl)ethylamine
CID 10606855
4-Ethyloxan-4-amine hydrochloride
CID 71757570
4-(Fluoromethyl)tetrahydro-2H-pyran-4-amine
CID 84762372
3-Ethyl-1-(2,2,2-trifluoroethoxy)pentan-3-amine
CID 62620907
3-Methyl-1-(2,2,2-trifluoroethoxy)pentan-3-amine
CID 62621834
4-(1,1-Difluoroethyl)oxan-4-amine
CID 84764909
4-(2-Fluoropropan-2-yl)-4-isocyanooxane
CID 84765994
2-(4-Fluorooxan-4-yl)propan-2-amine
CID 105431696
3,4-Dimethyl-1-(2,2,2-trifluoroethoxy)pentan-3-amine
CID 115001840
3-Ethyl-4-methyl-1-(2,2,2-trifluoroethoxy)pentan-3-amine
CID 115002353
3-Methyl-4-(trifluoromethyl)oxan-4-amine
CID 130491530
4-(2-Fluoroethyl)oxan-4-amine
CID 130515373

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropan-2-yl)oxan-4-amine?
The IUPAC name of 4-(2-fluoropropan-2-yl)oxan-4-amine (CID 84764413) is 4-(2-fluoropropan-2-yl)oxan-4-amine.
What is the SMILES notation for 4-(2-fluoropropan-2-yl)oxan-4-amine?
The canonical SMILES for 4-(2-fluoropropan-2-yl)oxan-4-amine is CC(C)(F)C1(N)CCOCC1.
What is the InChIKey of 4-(2-fluoropropan-2-yl)oxan-4-amine?
The InChIKey is ZHNKXTRVGQHNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-7(2,9)8(10)3-5-11-6-4-8/h3-6,10H2,1-2H3.
What are the key properties of 4-(2-fluoropropan-2-yl)oxan-4-amine?
4-(2-fluoropropan-2-yl)oxan-4-amine has a molecular weight of 161.22 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropan-2-yl)oxan-4-amine is sourced from PubChem (CID 84764413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).