3-fluoro-4-methoxy-3-methylbutan-2-amine

C6H14FNO — CID 130574602

IUPAC3-fluoro-4-methoxy-3-methylbutan-2-amine
SMILESCOCC(C)(F)C(C)N
InChIInChI=1S/C6H14FNO/c1-5(8)6(2,7)4-9-3/h5H,4,8H2,1-3H3
InChIKeyTZKWJNVBFXAYQE-UHFFFAOYSA-N
MW135.18 g/mol
LogP0.71
Rot. Bonds3

About 3-fluoro-4-methoxy-3-methylbutan-2-amine

3-fluoro-4-methoxy-3-methylbutan-2-amine (PubChem CID 130574602) has the molecular formula C6H14FNO and a molecular weight of 135.18 g/mol. Its IUPAC name is 3-fluoro-4-methoxy-3-methylbutan-2-amine.

Molecular Properties

Compound Name3-fluoro-4-methoxy-3-methylbutan-2-amine
PubChem CID130574602
Molecular FormulaC6H14FNO
Molecular Weight135.18 g/mol
Exact Mass135.11
IUPAC Name3-fluoro-4-methoxy-3-methylbutan-2-amine
SMILESCOCC(C)(F)C(C)N
InChIInChI=1S/C6H14FNO/c1-5(8)6(2,7)4-9-3/h5H,4,8H2,1-3H3
InChIKeyTZKWJNVBFXAYQE-UHFFFAOYSA-N
XLogP0.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.18
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoro-1-methoxy-3-propan-2-yloxypropane
CID 162617253
(2S)-3-fluoro-3-methylbutan-2-amine
CID 83814959
ethane;2-fluoro-1-methoxy-2-methylpropane
CID 176980153
(2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-amine
CID 95566847
1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-methylpropane
CID 21062401
2,2,3,3-tetrafluoro-1-methoxybutane
CID 59343885
3-amino-2-methyl-1-propan-2-yloxybutan-2-ol
CID 130574290
1-(1-methoxy-2-methylpropan-2-yl)-2-(2-methylpropyl)guanidine
CID 115629389
2-methylpropane;(2R)-1,1,1-trifluoropropan-2-amine
CID 159945347
1-methoxy-2,2-dimethylpropane
CID 160639316
(2R)-1,1,1-trifluoro-3-methoxy-2-methylpropan-2-ol
CID 94475320
1,1,1,2,2-pentafluoro-3-methoxypropane
CID 2776015

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxy-3-methylbutan-2-amine?
The IUPAC name of 3-fluoro-4-methoxy-3-methylbutan-2-amine (CID 130574602) is 3-fluoro-4-methoxy-3-methylbutan-2-amine.
What is the SMILES notation for 3-fluoro-4-methoxy-3-methylbutan-2-amine?
The canonical SMILES for 3-fluoro-4-methoxy-3-methylbutan-2-amine is COCC(C)(F)C(C)N.
What is the InChIKey of 3-fluoro-4-methoxy-3-methylbutan-2-amine?
The InChIKey is TZKWJNVBFXAYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNO/c1-5(8)6(2,7)4-9-3/h5H,4,8H2,1-3H3.
What are the key properties of 3-fluoro-4-methoxy-3-methylbutan-2-amine?
3-fluoro-4-methoxy-3-methylbutan-2-amine has a molecular weight of 135.18 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxy-3-methylbutan-2-amine is sourced from PubChem (CID 130574602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).