2-(3-fluorooxan-3-yl)propan-2-amine

C8H16FNO — CID 105431698

IUPAC2-(3-fluorooxan-3-yl)propan-2-amine
SMILESCC(C)(N)C1(F)CCCOC1
InChIInChI=1S/C8H16FNO/c1-7(2,10)8(9)4-3-5-11-6-8/h3-6,10H2,1-2H3
InChIKeyLRXKQSPKVWXPCM-UHFFFAOYSA-N
MW161.22 g/mol
LogP1.24
Rot. Bonds1

About 2-(3-fluorooxan-3-yl)propan-2-amine

2-(3-fluorooxan-3-yl)propan-2-amine (PubChem CID 105431698) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is 2-(3-fluorooxan-3-yl)propan-2-amine.

Molecular Properties

Compound Name2-(3-fluorooxan-3-yl)propan-2-amine
PubChem CID105431698
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name2-(3-fluorooxan-3-yl)propan-2-amine
SMILESCC(C)(N)C1(F)CCCOC1
InChIInChI=1S/C8H16FNO/c1-7(2,10)8(9)4-3-5-11-6-8/h3-6,10H2,1-2H3
InChIKeyLRXKQSPKVWXPCM-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

3-(1,1-difluoroethyl)-3-fluorooxane;difluoromethane;fluoromethane;methane
CID 160526377
2-(3-tert-butyloxan-3-yl)ethanamine
CID 83817500
[(3R)-3-fluorooxan-3-yl]methanamine;hydrochloride
CID 168963553
methyl 2-[3-(2-aminopropan-2-yl)oxan-3-yl]acetate
CID 66098608
3-methyl-3-(2-methylbutan-2-yl)oxane
CID 144692005
3-ethyl-3,4,4-trifluorooxepane
CID 18737311
3-(2,2,2-trifluoroethyl)oxan-3-amine
CID 105440417
(3R)-3-(bromomethyl)-3-methyloxane
CID 124636948
1-tert-butyl-1-fluorocyclohexane
CID 13144920
3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxane
CID 171453937
1-tert-butyl-1-fluorocyclobutane;3-tert-butyloxetan-3-ol;methane
CID 167634065
3-ethyl-3,4,4-trifluorooxepane;fluoromethane;methane
CID 159963583

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorooxan-3-yl)propan-2-amine?
The IUPAC name of 2-(3-fluorooxan-3-yl)propan-2-amine (CID 105431698) is 2-(3-fluorooxan-3-yl)propan-2-amine.
What is the SMILES notation for 2-(3-fluorooxan-3-yl)propan-2-amine?
The canonical SMILES for 2-(3-fluorooxan-3-yl)propan-2-amine is CC(C)(N)C1(F)CCCOC1.
What is the InChIKey of 2-(3-fluorooxan-3-yl)propan-2-amine?
The InChIKey is LRXKQSPKVWXPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO/c1-7(2,10)8(9)4-3-5-11-6-8/h3-6,10H2,1-2H3.
What are the key properties of 2-(3-fluorooxan-3-yl)propan-2-amine?
2-(3-fluorooxan-3-yl)propan-2-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 2-(3-fluorooxan-3-yl)propan-2-amine is sourced from PubChem (CID 105431698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).