4-fluoro-4-methylhexan-3-amine

C7H16FN — CID 167068220

IUPAC4-fluoro-4-methylhexan-3-amine
SMILESCCC(N)C(C)(F)CC
InChIInChI=1S/C7H16FN/c1-4-6(9)7(3,8)5-2/h6H,4-5,9H2,1-3H3
InChIKeyPOTJMONFYCYNRG-UHFFFAOYSA-N
MW133.21 g/mol
LogP1.86
Rot. Bonds3

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

4-fluoro-4-methylhexan-3-amine (PubChem CID 167068220) has the molecular formula C7H16FN and a molecular weight of 133.21 g/mol. Its IUPAC name is 4-fluoro-4-methylhexan-3-amine.

Molecular Properties

Compound Name4-fluoro-4-methylhexan-3-amine
PubChem CID167068220
Molecular FormulaC7H16FN
Molecular Weight133.21 g/mol
Exact Mass133.13
IUPAC Name4-fluoro-4-methylhexan-3-amine
SMILESCCC(N)C(C)(F)CC
InChIInChI=1S/C7H16FN/c1-4-6(9)7(3,8)5-2/h6H,4-5,9H2,1-3H3
InChIKeyPOTJMONFYCYNRG-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-methylhexan-3-amine?
The IUPAC name of 4-fluoro-4-methylhexan-3-amine (CID 167068220) is 4-fluoro-4-methylhexan-3-amine.
What is the SMILES notation for 4-fluoro-4-methylhexan-3-amine?
The canonical SMILES for 4-fluoro-4-methylhexan-3-amine is CCC(N)C(C)(F)CC.
What is the InChIKey of 4-fluoro-4-methylhexan-3-amine?
The InChIKey is POTJMONFYCYNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FN/c1-4-6(9)7(3,8)5-2/h6H,4-5,9H2,1-3H3.
What are the key properties of 4-fluoro-4-methylhexan-3-amine?
4-fluoro-4-methylhexan-3-amine has a molecular weight of 133.21 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methylhexan-3-amine is sourced from PubChem (CID 167068220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).