3-fluoro-N,N-dimethyloxan-4-amine

C7H14FNO — CID 58035392

IUPAC3-fluoro-N,N-dimethyloxan-4-amine
SMILESCN(C)C1CCOCC1F
InChIInChI=1S/C7H14FNO/c1-9(2)7-3-4-10-5-6(7)8/h6-7H,3-5H2,1-2H3
InChIKeyBDMQZHRMPUSNOE-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.68
Rot. Bonds1

About 3-fluoro-N,N-dimethyloxan-4-amine

3-fluoro-N,N-dimethyloxan-4-amine (PubChem CID 58035392) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 3-fluoro-N,N-dimethyloxan-4-amine.

Molecular Properties

Compound Name3-fluoro-N,N-dimethyloxan-4-amine
PubChem CID58035392
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name3-fluoro-N,N-dimethyloxan-4-amine
SMILESCN(C)C1CCOCC1F
InChIInChI=1S/C7H14FNO/c1-9(2)7-3-4-10-5-6(7)8/h6-7H,3-5H2,1-2H3
InChIKeyBDMQZHRMPUSNOE-UHFFFAOYSA-N
XLogP0.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-Dimethyltetrahydro-2H-pyran-4-amine
CID 10176150
(3R,4R)-3-fluoro-N-methyl-tetrahydropyran-4-amine
CID 84648186
3-fluoro-N-iodo-N-methyloxan-4-amine
CID 129192029
3-Fluoro-1-(oxan-4-yl)azetidine
CID 130738541
N-fluoro-N-methyloxan-4-amine
CID 144039171
N-ethyl-N-fluorooxan-4-amine
CID 145148759
(4R)-6-fluoro-3,4-dimethyl-1,3-oxazinane
CID 175612622
Trifluoro-[[methyl(oxan-4-yl)amino]methyl]boranuide
CID 63702796
N-methyl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 115257837
N-(5-fluoropentyl)-N-propan-2-yloxan-4-amine
CID 121527515
(3S,4S)-3-Fluoro-N-methyltetrahydro-2H-pyran-4-amine
CID 135393211
N-methyl-N-(2,2,2-trifluoroethoxymethyl)oxan-4-amine
CID 153658093

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,N-dimethyloxan-4-amine?
The IUPAC name of 3-fluoro-N,N-dimethyloxan-4-amine (CID 58035392) is 3-fluoro-N,N-dimethyloxan-4-amine.
What is the SMILES notation for 3-fluoro-N,N-dimethyloxan-4-amine?
The canonical SMILES for 3-fluoro-N,N-dimethyloxan-4-amine is CN(C)C1CCOCC1F.
What is the InChIKey of 3-fluoro-N,N-dimethyloxan-4-amine?
The InChIKey is BDMQZHRMPUSNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-9(2)7-3-4-10-5-6(7)8/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-fluoro-N,N-dimethyloxan-4-amine?
3-fluoro-N,N-dimethyloxan-4-amine has a molecular weight of 147.19 g/mol, XLogP of 0.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,N-dimethyloxan-4-amine is sourced from PubChem (CID 58035392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).