fluoromethane;1-(1-methoxybutan-2-yl)piperazine

C10H23FN2O — CID 162038929

IUPACfluoromethane;1-(1-methoxybutan-2-yl)piperazine
SMILESCCC(COC)N1CCNCC1.CF
InChIInChI=1S/C9H20N2O.CH3F/c1-3-9(8-12-2)11-6-4-10-5-7-11;1-2/h9-10H,3-8H2,1-2H3;1H3
InChIKeyYWZYDJVPSAVFDQ-UHFFFAOYSA-N
MW206.30 g/mol
LogP0.90
Rot. Bonds4

About fluoromethane;1-(1-methoxybutan-2-yl)piperazine

fluoromethane;1-(1-methoxybutan-2-yl)piperazine (PubChem CID 162038929) has the molecular formula C10H23FN2O and a molecular weight of 206.30 g/mol. Its IUPAC name is fluoromethane;1-(1-methoxybutan-2-yl)piperazine.

Molecular Properties

Compound Namefluoromethane;1-(1-methoxybutan-2-yl)piperazine
PubChem CID162038929
Molecular FormulaC10H23FN2O
Molecular Weight206.30 g/mol
Exact Mass206.18
IUPAC Namefluoromethane;1-(1-methoxybutan-2-yl)piperazine
SMILESCCC(COC)N1CCNCC1.CF
InChIInChI=1S/C9H20N2O.CH3F/c1-3-9(8-12-2)11-6-4-10-5-7-11;1-2/h9-10H,3-8H2,1-2H3;1H3
InChIKeyYWZYDJVPSAVFDQ-UHFFFAOYSA-N
XLogP0.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.30
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methoxypropan-2-yl)piperazine;dihydrochloride
CID 50988385
1-[(3R)-hexan-3-yl]piperazine
CID 94350939
2-ethyl-1-(1-methoxybutan-2-yl)piperazine
CID 64931133
1-(1-piperazin-1-ylpentan-3-yl)piperazine
CID 57104516
1-(1-fluoropropyl)piperazine
CID 91569783
1-(1,3-dimethoxypropan-2-yl)-4-ethylpiperazine
CID 142443734
3-benzyl-1-(1-methoxybutan-2-yl)piperazine
CID 64953640
1-(1,3-dimethoxypropan-2-yl)-4-propan-2-ylpiperazine
CID 147502598
1-(1-bromopropyl)piperazine
CID 135292234
3-methoxy-2-piperazin-1-ylpropanehydrazide
CID 103229611
2-(1-methoxybutan-2-yl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79939042
1-(1-methoxybutan-2-yl)pyrrolidine-3-carboxylic acid
CID 65066414

Frequently Asked Questions

What is the IUPAC name of fluoromethane;1-(1-methoxybutan-2-yl)piperazine?
The IUPAC name of fluoromethane;1-(1-methoxybutan-2-yl)piperazine (CID 162038929) is fluoromethane;1-(1-methoxybutan-2-yl)piperazine.
What is the SMILES notation for fluoromethane;1-(1-methoxybutan-2-yl)piperazine?
The canonical SMILES for fluoromethane;1-(1-methoxybutan-2-yl)piperazine is CCC(COC)N1CCNCC1.CF.
What is the InChIKey of fluoromethane;1-(1-methoxybutan-2-yl)piperazine?
The InChIKey is YWZYDJVPSAVFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O.CH3F/c1-3-9(8-12-2)11-6-4-10-5-7-11;1-2/h9-10H,3-8H2,1-2H3;1H3.
What are the key properties of fluoromethane;1-(1-methoxybutan-2-yl)piperazine?
fluoromethane;1-(1-methoxybutan-2-yl)piperazine has a molecular weight of 206.30 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;1-(1-methoxybutan-2-yl)piperazine is sourced from PubChem (CID 162038929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).