1-(fluoromethoxy)-N,N-dimethylbutan-1-amine

C7H16FNO — CID 142468528

IUPAC1-(fluoromethoxy)-N,N-dimethylbutan-1-amine
SMILESCCCC(OCF)N(C)C
InChIInChI=1S/C7H16FNO/c1-4-5-7(9(2)3)10-6-8/h7H,4-6H2,1-3H3
InChIKeyHPAFIHPFUUMUQM-UHFFFAOYSA-N
MW149.21 g/mol
LogP1.62
Rot. Bonds5

About 1-(fluoromethoxy)-N,N-dimethylbutan-1-amine

1-(fluoromethoxy)-N,N-dimethylbutan-1-amine (PubChem CID 142468528) has the molecular formula C7H16FNO and a molecular weight of 149.21 g/mol. Its IUPAC name is 1-(fluoromethoxy)-N,N-dimethylbutan-1-amine.

Molecular Properties

Compound Name1-(fluoromethoxy)-N,N-dimethylbutan-1-amine
PubChem CID142468528
Molecular FormulaC7H16FNO
Molecular Weight149.21 g/mol
Exact Mass149.12
IUPAC Name1-(fluoromethoxy)-N,N-dimethylbutan-1-amine
SMILESCCCC(OCF)N(C)C
InChIInChI=1S/C7H16FNO/c1-4-5-7(9(2)3)10-6-8/h7H,4-6H2,1-3H3
InChIKeyHPAFIHPFUUMUQM-UHFFFAOYSA-N
XLogP1.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-(difluoromethoxy)-N,N-dimethylbutan-1-amine
CID 87379412
4-(1,1-difluoropropoxy)-N,N-dimethylbutan-1-amine
CID 88900251
4-(1,1-difluoroethoxy)-N,N-dimethylbutan-1-amine
CID 90392456
(2S)-2-fluoro-2-(methoxymethyl)-N,N-dimethylbutan-1-amine
CID 156843552
N,N-dimethylpropan-1-amine;1-(trifluoromethoxy)butane
CID 172334294
N-methyl-N-propyl-4-(trifluoromethoxy)butan-1-amine
CID 172334564
Fluoromethyl-(3-methoxypropyl)-dimethylazanium
CID 176706226
3-(2-fluoroethoxy)-N,N-dimethylpropan-1-amine
CID 156860918
4-methoxy-N,N-dimethylbutan-1-amine
CID 13115256
4-Methoxybutyl(trimethyl)azanium
CID 85550617
1-methoxy-N,N-dimethylbutan-1-amine
CID 87835248
1-methoxy-N-methyl-N-propylbutan-1-amine
CID 143604026

Frequently Asked Questions

What is the IUPAC name of 1-(fluoromethoxy)-N,N-dimethylbutan-1-amine?
The IUPAC name of 1-(fluoromethoxy)-N,N-dimethylbutan-1-amine (CID 142468528) is 1-(fluoromethoxy)-N,N-dimethylbutan-1-amine.
What is the SMILES notation for 1-(fluoromethoxy)-N,N-dimethylbutan-1-amine?
The canonical SMILES for 1-(fluoromethoxy)-N,N-dimethylbutan-1-amine is CCCC(OCF)N(C)C.
What is the InChIKey of 1-(fluoromethoxy)-N,N-dimethylbutan-1-amine?
The InChIKey is HPAFIHPFUUMUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO/c1-4-5-7(9(2)3)10-6-8/h7H,4-6H2,1-3H3.
What are the key properties of 1-(fluoromethoxy)-N,N-dimethylbutan-1-amine?
1-(fluoromethoxy)-N,N-dimethylbutan-1-amine has a molecular weight of 149.21 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(fluoromethoxy)-N,N-dimethylbutan-1-amine is sourced from PubChem (CID 142468528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).