(4S)-4-fluoro-4-methylazepin-3-amine

C7H9FN2 — CID 175192123

IUPAC(4S)-4-fluoro-4-methylazepin-3-amine
SMILESC[C@]1(F)C=CC=NC=C1N
InChIInChI=1S/C7H9FN2/c1-7(8)3-2-4-10-5-6(7)9/h2-5H,9H2,1H3/t7-/m0/s1
InChIKeyZPNBIWBRFFREGA-ZETCQYMHSA-N
MW140.16 g/mol
LogP1.16
Rot. Bonds

About (4S)-4-fluoro-4-methylazepin-3-amine

(4S)-4-fluoro-4-methylazepin-3-amine (PubChem CID 175192123) has the molecular formula C7H9FN2 and a molecular weight of 140.16 g/mol. Its IUPAC name is (4S)-4-fluoro-4-methylazepin-3-amine.

Molecular Properties

Compound Name(4S)-4-fluoro-4-methylazepin-3-amine
PubChem CID175192123
Molecular FormulaC7H9FN2
Molecular Weight140.16 g/mol
Exact Mass140.07
IUPAC Name(4S)-4-fluoro-4-methylazepin-3-amine
SMILESC[C@]1(F)C=CC=NC=C1N
InChIInChI=1S/C7H9FN2/c1-7(8)3-2-4-10-5-6(7)9/h2-5H,9H2,1H3/t7-/m0/s1
InChIKeyZPNBIWBRFFREGA-ZETCQYMHSA-N
XLogP1.16
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-fluoro-4-methylazepin-3-amine?
The IUPAC name of (4S)-4-fluoro-4-methylazepin-3-amine (CID 175192123) is (4S)-4-fluoro-4-methylazepin-3-amine.
What is the SMILES notation for (4S)-4-fluoro-4-methylazepin-3-amine?
The canonical SMILES for (4S)-4-fluoro-4-methylazepin-3-amine is C[C@]1(F)C=CC=NC=C1N.
What is the InChIKey of (4S)-4-fluoro-4-methylazepin-3-amine?
The InChIKey is ZPNBIWBRFFREGA-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H9FN2/c1-7(8)3-2-4-10-5-6(7)9/h2-5H,9H2,1H3/t7-/m0/s1.
What are the key properties of (4S)-4-fluoro-4-methylazepin-3-amine?
(4S)-4-fluoro-4-methylazepin-3-amine has a molecular weight of 140.16 g/mol, XLogP of 1.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-fluoro-4-methylazepin-3-amine is sourced from PubChem (CID 175192123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).