2-ethyl-2-fluoro-3-methylbutan-1-amine

C7H16FN — CID 112565881

IUPAC2-ethyl-2-fluoro-3-methylbutan-1-amine
SMILESCCC(F)(CN)C(C)C
InChIInChI=1S/C7H16FN/c1-4-7(8,5-9)6(2)3/h6H,4-5,9H2,1-3H3
InChIKeyKMMKBJLKGYDBDZ-UHFFFAOYSA-N
MW133.21 g/mol
LogP1.72
Rot. Bonds3

About 2-ethyl-2-fluoro-3-methylbutan-1-amine

2-ethyl-2-fluoro-3-methylbutan-1-amine (PubChem CID 112565881) has the molecular formula C7H16FN and a molecular weight of 133.21 g/mol. Its IUPAC name is 2-ethyl-2-fluoro-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-fluoro-3-methylbutan-1-amine
PubChem CID112565881
Molecular FormulaC7H16FN
Molecular Weight133.21 g/mol
Exact Mass133.13
IUPAC Name2-ethyl-2-fluoro-3-methylbutan-1-amine
SMILESCCC(F)(CN)C(C)C
InChIInChI=1S/C7H16FN/c1-4-7(8,5-9)6(2)3/h6H,4-5,9H2,1-3H3
InChIKeyKMMKBJLKGYDBDZ-UHFFFAOYSA-N
XLogP1.72
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.21
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-2-propan-2-ylpropane-1,3-diamine;dihydrochloride
CID 122239506
2-fluoro-4-methyl-2-propan-2-ylpentan-1-amine
CID 112566856
2,2-difluoro-3-methylbutan-1-amine
CID 22002026
3-ethyl-3-fluoro-N,N,4-trimethylpentan-1-amine
CID 163258441
2,2-difluoro-3-methylbutan-1-amine;hydrochloride
CID 105431378
2-fluoro-3-methyl-2-[(4-methylphenyl)methyl]butan-1-amine
CID 112566808
dodecan-1-amine;2,2,3-trimethylbutane
CID 143310414
2-fluoro-2-[(4-iodophenyl)methyl]-3-methylbutan-1-amine
CID 112566939
4-(aminomethyl)-2,3,4-trimethylhexan-3-ol
CID 79127301
3,3-difluoro-2,2,4-trimethylpentan-1-amine
CID 116839608
2-[(3,4-difluorophenyl)methyl]-2-fluoro-3-methylbutan-1-amine
CID 112566729
2-fluoro-3-methyl-2-(1,3-thiazol-5-ylmethyl)butan-1-amine
CID 112645708

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-fluoro-3-methylbutan-1-amine?
The IUPAC name of 2-ethyl-2-fluoro-3-methylbutan-1-amine (CID 112565881) is 2-ethyl-2-fluoro-3-methylbutan-1-amine.
What is the SMILES notation for 2-ethyl-2-fluoro-3-methylbutan-1-amine?
The canonical SMILES for 2-ethyl-2-fluoro-3-methylbutan-1-amine is CCC(F)(CN)C(C)C.
What is the InChIKey of 2-ethyl-2-fluoro-3-methylbutan-1-amine?
The InChIKey is KMMKBJLKGYDBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FN/c1-4-7(8,5-9)6(2)3/h6H,4-5,9H2,1-3H3.
What are the key properties of 2-ethyl-2-fluoro-3-methylbutan-1-amine?
2-ethyl-2-fluoro-3-methylbutan-1-amine has a molecular weight of 133.21 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-fluoro-3-methylbutan-1-amine is sourced from PubChem (CID 112565881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).