1-(3-fluorooxan-3-yl)-N-methylmethanamine

C7H14FNO — CID 84731223

IUPAC1-(3-fluorooxan-3-yl)-N-methylmethanamine
SMILESCNCC1(F)CCCOC1
InChIInChI=1S/C7H14FNO/c1-9-5-7(8)3-2-4-10-6-7/h9H,2-6H2,1H3
InChIKeyHZYVSVCZVCHTKH-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.72
Rot. Bonds2

About 1-(3-fluorooxan-3-yl)-N-methylmethanamine

1-(3-fluorooxan-3-yl)-N-methylmethanamine (PubChem CID 84731223) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 1-(3-fluorooxan-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-fluorooxan-3-yl)-N-methylmethanamine
PubChem CID84731223
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name1-(3-fluorooxan-3-yl)-N-methylmethanamine
SMILESCNCC1(F)CCCOC1
InChIInChI=1S/C7H14FNO/c1-9-5-7(8)3-2-4-10-6-7/h9H,2-6H2,1H3
InChIKeyHZYVSVCZVCHTKH-UHFFFAOYSA-N
XLogP0.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl(oxan-3-ylmethyl)amine
CID 12700139
3-(Methoxymethyl)piperidine
CID 17178053
(3-Fluorotetrahydro-2H-pyran-3-yl)methanamine
CID 84020606
4,4-Difluoro-3-(methoxymethyl)piperidine
CID 105432609
[(3S)-3-fluorotetrahydropyran-3-yl]methanamine
CID 168963616
(2R,5S)-N-methyl-5-(trifluoromethyl)oxan-2-amine
CID 175417306
N-methyl-5-(trifluoromethyl)oxan-2-amine
CID 175417308
(3S)-3-fluoro-3-(methoxymethyl)piperidine
CID 177327141
3-(2-Fluoroethoxymethyl)piperidine
CID 53409398
2,2,2-trifluoro-N-(oxan-3-ylmethyl)ethanamine
CID 61019699
2,2-difluoro-N-(oxan-3-ylmethyl)ethanamine
CID 61020958
2-fluoro-N-(oxan-3-ylmethyl)ethanamine
CID 80695317

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorooxan-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-fluorooxan-3-yl)-N-methylmethanamine (CID 84731223) is 1-(3-fluorooxan-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-fluorooxan-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-fluorooxan-3-yl)-N-methylmethanamine is CNCC1(F)CCCOC1.
What is the InChIKey of 1-(3-fluorooxan-3-yl)-N-methylmethanamine?
The InChIKey is HZYVSVCZVCHTKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-9-5-7(8)3-2-4-10-6-7/h9H,2-6H2,1H3.
What are the key properties of 1-(3-fluorooxan-3-yl)-N-methylmethanamine?
1-(3-fluorooxan-3-yl)-N-methylmethanamine has a molecular weight of 147.19 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorooxan-3-yl)-N-methylmethanamine is sourced from PubChem (CID 84731223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).