ethane;3-fluoro-N-methylbutan-1-amine

C7H18FN — CID 144771088

IUPACethane;3-fluoro-N-methylbutan-1-amine
SMILESCC.CNCCC(C)F
InChIInChI=1S/C5H12FN.C2H6/c1-5(6)3-4-7-2;1-2/h5,7H,3-4H2,1-2H3;1-2H3
InChIKeyVOOFXRSKRDWJHJ-UHFFFAOYSA-N
MW135.23 g/mol
LogP1.98
Rot. Bonds3

About ethane;3-fluoro-N-methylbutan-1-amine

ethane;3-fluoro-N-methylbutan-1-amine (PubChem CID 144771088) has the molecular formula C7H18FN and a molecular weight of 135.23 g/mol. Its IUPAC name is ethane;3-fluoro-N-methylbutan-1-amine.

Molecular Properties

Compound Nameethane;3-fluoro-N-methylbutan-1-amine
PubChem CID144771088
Molecular FormulaC7H18FN
Molecular Weight135.23 g/mol
Exact Mass135.14
IUPAC Nameethane;3-fluoro-N-methylbutan-1-amine
SMILESCC.CNCCC(C)F
InChIInChI=1S/C5H12FN.C2H6/c1-5(6)3-4-7-2;1-2/h5,7H,3-4H2,1-2H3;1-2H3
InChIKeyVOOFXRSKRDWJHJ-UHFFFAOYSA-N
XLogP1.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.23
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-3-fluoro-N-methylbutan-1-amine
CID 126693109
4-fluoro-N-methylpentan-1-amine
CID 123463233
4-fluoro-1-(methylamino)pentan-3-ol
CID 174427700
ethane;2-fluoro-N-methylpropan-1-amine
CID 144550973
N,3-dimethylpentan-1-amine;ethane
CID 142089517
4,4,4-trifluoro-N,3-dimethylbutan-1-amine
CID 83682052
ethane;N,3,4-trimethylhexan-1-amine
CID 145138668
3,4,4,4-tetrafluoro-N-methylbutan-1-amine
CID 84731464
N,N',2-trimethylbutane-1,4-diamine
CID 118562812
N,5-dimethylhexan-1-amine;ethane
CID 142540507
4-(methylamino)butan-2-ol;hydrochloride
CID 135392389
N,N'-dimethylethane-1,2-diamine;ethane
CID 90689080

Frequently Asked Questions

What is the IUPAC name of ethane;3-fluoro-N-methylbutan-1-amine?
The IUPAC name of ethane;3-fluoro-N-methylbutan-1-amine (CID 144771088) is ethane;3-fluoro-N-methylbutan-1-amine.
What is the SMILES notation for ethane;3-fluoro-N-methylbutan-1-amine?
The canonical SMILES for ethane;3-fluoro-N-methylbutan-1-amine is CC.CNCCC(C)F.
What is the InChIKey of ethane;3-fluoro-N-methylbutan-1-amine?
The InChIKey is VOOFXRSKRDWJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12FN.C2H6/c1-5(6)3-4-7-2;1-2/h5,7H,3-4H2,1-2H3;1-2H3.
What are the key properties of ethane;3-fluoro-N-methylbutan-1-amine?
ethane;3-fluoro-N-methylbutan-1-amine has a molecular weight of 135.23 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-fluoro-N-methylbutan-1-amine is sourced from PubChem (CID 144771088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).