ethane;2-fluoro-N-methylpropan-1-amine

C6H16FN — CID 144550973

IUPACethane;2-fluoro-N-methylpropan-1-amine
SMILESCC.CNCC(C)F
InChIInChI=1S/C4H10FN.C2H6/c1-4(5)3-6-2;1-2/h4,6H,3H2,1-2H3;1-2H3
InChIKeyCRNKICJCPFRSRI-UHFFFAOYSA-N
MW121.20 g/mol
LogP1.59
Rot. Bonds2

About ethane;2-fluoro-N-methylpropan-1-amine

ethane;2-fluoro-N-methylpropan-1-amine (PubChem CID 144550973) has the molecular formula C6H16FN and a molecular weight of 121.20 g/mol. Its IUPAC name is ethane;2-fluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Nameethane;2-fluoro-N-methylpropan-1-amine
PubChem CID144550973
Molecular FormulaC6H16FN
Molecular Weight121.20 g/mol
Exact Mass121.13
IUPAC Nameethane;2-fluoro-N-methylpropan-1-amine
SMILESCC.CNCC(C)F
InChIInChI=1S/C4H10FN.C2H6/c1-4(5)3-6-2;1-2/h4,6H,3H2,1-2H3;1-2H3
InChIKeyCRNKICJCPFRSRI-UHFFFAOYSA-N
XLogP1.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.20
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-3,3-difluoro-N,2-dimethylpropan-1-amine
CID 176965974
ethane;3-fluoro-N-methylbutan-1-amine
CID 144771088
2-fluoro-N-propan-2-ylpropan-1-amine
CID 84647765
(2S)-2-fluoro-N,5-dimethylhexan-1-amine
CID 129462625
2-(1-fluoroethyl)-N'-methylpropane-1,3-diamine
CID 142196166
(3R)-3-fluoro-N-methylbutan-1-amine
CID 126693109
4,4-difluoro-N-methyl-2-propan-2-ylbutan-1-amine
CID 134163261
ethane;N,2,4-trimethylpentan-1-amine
CID 142844862
N,2-dimethylpropan-1-amine;methanamine
CID 144585140
(2R)-N-methyl-2-phosphanylpropan-1-amine
CID 171624131
2,4-difluoro-N-methylbutan-1-amine
CID 147861140
N-(2-fluoropropyl)butan-2-amine
CID 163635635

Frequently Asked Questions

What is the IUPAC name of ethane;2-fluoro-N-methylpropan-1-amine?
The IUPAC name of ethane;2-fluoro-N-methylpropan-1-amine (CID 144550973) is ethane;2-fluoro-N-methylpropan-1-amine.
What is the SMILES notation for ethane;2-fluoro-N-methylpropan-1-amine?
The canonical SMILES for ethane;2-fluoro-N-methylpropan-1-amine is CC.CNCC(C)F.
What is the InChIKey of ethane;2-fluoro-N-methylpropan-1-amine?
The InChIKey is CRNKICJCPFRSRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FN.C2H6/c1-4(5)3-6-2;1-2/h4,6H,3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-fluoro-N-methylpropan-1-amine?
ethane;2-fluoro-N-methylpropan-1-amine has a molecular weight of 121.20 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-fluoro-N-methylpropan-1-amine is sourced from PubChem (CID 144550973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).