4-fluoro-2-methylhexan-3-amine

C7H16FN — CID 155312274

IUPAC4-fluoro-2-methylhexan-3-amine
SMILESCCC(F)C(N)C(C)C
InChIInChI=1S/C7H16FN/c1-4-6(8)7(9)5(2)3/h5-7H,4,9H2,1-3H3
InChIKeyWRKQLCMZASHUEU-UHFFFAOYSA-N
MW133.21 g/mol
LogP1.72
Rot. Bonds3

About 4-fluoro-2-methylhexan-3-amine

4-fluoro-2-methylhexan-3-amine (PubChem CID 155312274) has the molecular formula C7H16FN and a molecular weight of 133.21 g/mol. Its IUPAC name is 4-fluoro-2-methylhexan-3-amine.

Molecular Properties

Compound Name4-fluoro-2-methylhexan-3-amine
PubChem CID155312274
Molecular FormulaC7H16FN
Molecular Weight133.21 g/mol
Exact Mass133.13
IUPAC Name4-fluoro-2-methylhexan-3-amine
SMILESCCC(F)C(N)C(C)C
InChIInChI=1S/C7H16FN/c1-4-6(8)7(9)5(2)3/h5-7H,4,9H2,1-3H3
InChIKeyWRKQLCMZASHUEU-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

3-fluoro-2-methylpentane
CID 23234145
3-fluoro-2-methylpentane;methane
CID 158695521
(4R)-2,4-dimethylhexan-3-amine
CID 59252919
2,4-dimethylhexan-3-amine;ethane
CID 143534901
1-fluoropropan-1-amine
CID 18761775
2-ethyl-4-methylpentane-1,3-diamine
CID 116945412
1-fluoropropan-1-amine;hydrochloride
CID 173116737
3-amino-5-ethyl-2-methylheptan-4-ol
CID 115347574
(3R,4R,5R,6S)-3,6-dimethyloctane-4,5-diamine
CID 101057431
dichloroplatinum;2,5-dimethylhexane-3,4-diamine
CID 88641705
butan-2-amine;(2R)-butan-2-amine;methane
CID 160926504
(3S)-2-methylpentan-3-amine;hydrochloride
CID 11651162

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methylhexan-3-amine?
The IUPAC name of 4-fluoro-2-methylhexan-3-amine (CID 155312274) is 4-fluoro-2-methylhexan-3-amine.
What is the SMILES notation for 4-fluoro-2-methylhexan-3-amine?
The canonical SMILES for 4-fluoro-2-methylhexan-3-amine is CCC(F)C(N)C(C)C.
What is the InChIKey of 4-fluoro-2-methylhexan-3-amine?
The InChIKey is WRKQLCMZASHUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FN/c1-4-6(8)7(9)5(2)3/h5-7H,4,9H2,1-3H3.
What are the key properties of 4-fluoro-2-methylhexan-3-amine?
4-fluoro-2-methylhexan-3-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 4-fluoro-2-methylhexan-3-amine is sourced from PubChem (CID 155312274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).